SCHEMBL1286967

SCHEMBL1286967

CN(CC(=O)OC(=O)C(O)C(O)C(=O)OC(=O)CN(C)C(=N)N)C(=N)N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CA1 P00915 13/20 0.33
CA2 P00918 13/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1883327 0.88 NOS3 (0.36) NOS3NOS1NOS2CA1CA2
SCHEMBL26977407 0.85 PDE4A (0.38) NOS3NOS1NOS2
SCHEMBL3812152 0.85 NOS3 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL28272895 0.84 NOS3 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL623786 0.83 NOS3 (0.33) NOS3NOS1NOS2CA1CA2
Water SCHEMBL21810558 0.83 NOS3 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL5326458 0.81 NOS3 (0.37) NOS3NOS1NOS2CA1CA2
SCHEMBL21404061 0.79 CA1 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL941222 0.79 ALDH1A1 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL346040 0.79 NOS3 (0.36) NOS3NOS1NOS2CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 70 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108723-A1 Multi-Nutrient Composition EXERKINE CORPORATION (CA) 2023-04-06 US claimed
US-11504413-B2 Multi-nutrient composition EXERKINE CORPORATION (CA) 2022-11-22 US claimed
US-10265317-B2 Combination of creatine, an omega-3 fatty acid, and citicoline UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-04-23 US claimed
US-20180263983-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE UNIV UTAH RES FOUND (US) 2018-09-20 US claimed
WO-2018157258-A1 MULTI-NUTRIENT COMPOSITION EXERKINE CORPORATION (CA) 2018-09-07 WO claimed
US-10058552-B2 Combination of creatine, an omega-3 fatty acid, and citicoline UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2018-08-28 US claimed
US-20170165264-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2017-06-15 US claimed
EP-3102227-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE University Of Utah Research Foundation (US) 2016-12-14 EP claimed
CN-106102765-A Combination of creatine, omega-3 fatty acid and citicoline 犹他大学研究基金会 2016-11-09 CN claimed
WO-2015120299-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-08-13 WO claimed
US-20130324609-A1 DEPRESSION DISORDER THERAPEUTICS WITH CREATINE ANALOGS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-12-05 US claimed
WO-2012048243-A2 DEPRESSION DISORDER THERAPEUTICS WITH CREATINE ANALOGS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-04-12 WO claimed
US-20110123654-A1 SYNERGISTIC ENHANCEMENT OF CELLULAR ERGOGENIC NUTRIENT UPTAKE, LIKE CREATINE OR CARNITINE, WITH TARRAGON FINZELBERG GMBH & CO. KG (DE) 2011-05-26 US claimed
EP-2303040-A1 SYNERGISTIC ENHANCEMENT OF CELLULAR ERGOGENIC NUTRIENT UPTAKE, LIKE CREATINE OR CARNITINE, WITH TARRAGON PhytoLab GmbH & Co. KG (DE) 2011-04-06 EP claimed
WO-2009147229-A1 SYNERGISTIC ENHANCEMENT OF CELLULAR ERGOGENIC NUTRIENT UPTAKE, LIKE CREATINE OR CARNITINE, WITH TARRAGON PHYTOLAB GMBH & CO. KG (DE) 2009-12-10 WO claimed
US-7226947-B1 Use of creatine as a fat substitute ALZCHEM TROSTBERG GMBH (DE) 2007-06-05 US claimed
CN-1224328-C Use of creatine as fodder additive DSM FINE CHEM AUSTRIA GMBH (AT) 2005-10-26 CN claimed
EP-1176875-B1 USE OF CREATINE AS A FEED SUBSTITUTE DSM FINE CHEM AUSTRIA GMBH (AT) 2005-01-19 EP claimed
CN-1350434-A Use of creatine as fodder additive DSM FINE CHEMICALS AUSTRIA (AT) 2002-05-22 CN claimed
CN-112118855-B Weight management composition 爱瑟金股份有限公司 2026-05-12 CN disclosed
US-20260014220-A1 Method for Treating Lysosomal Storage Disease EXERKINE CORP (CA) 2026-01-15 US disclosed
US-12419852-B2 Method for treating lysosomal storage disease EXERKINE CORPORATION (CA) 2025-09-23 US disclosed
EP-4611786-A1 FERTILITY ENHANCEMENT COMPOSITION Exerkine Corporation (CA) 2025-09-10 EP disclosed
US-12285456-B2 Weight management composition EXERKINE CORPORATION (CA) 2025-04-29 US disclosed
CN-119403458-A Water-soluble creatine agglomerates 澳泽化学特罗斯特贝格有限公司 2025-02-07 CN disclosed
EP-3768290-B1 WEIGHT MANAGEMENT COMPOSITION EXERKINE CORP (CA) 2024-08-21 EP disclosed
WO-2024092369-A1 FERTILITY ENHANCEMENT COMPOSITION EXERKINE CORPORATION (CA) 2024-05-10 WO disclosed
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-06-29 US disclosed
US-11633354-B2 Creatine and/or creatinine compositions and related methods THERMOLIFE INTERNATIONAL, LLC (US) 2023-04-25 US disclosed
US-20230108723-A1 Multi-Nutrient Composition EXERKINE CORPORATION (CA) 2023-04-06 US disclosed
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2023-03-02 US disclosed
US-11504413-B2 Multi-nutrient composition EXERKINE CORPORATION (CA) 2022-11-22 US disclosed
US-20220088040-A1 Use of System XC-Inhibitor for Treating Statin-Induced Myalgia EXERKINE CORP (CA) 2022-03-24 US disclosed
US-20220062368-A1 Weight Management Composition MCMASTER UNIVERSITY (CA) 2022-03-03 US disclosed
US-11167001-B2 Weight management composition EXERKINE CORPORATION (CA) 2021-11-09 US disclosed
US-11154499-B2 Creatine and/or creatinine compositions and related methods THERMOLIFE INTERNATIONAL, LLC (US) 2021-10-26 US disclosed
US-20210322358-A1 Method for Treating Lysosomal Storage Disease MCMASTER UNIVERSITY (CA) 2021-10-21 US disclosed
CN-108929249-B Synthetic process of ethyl creatine hydrochloride 山东第一医科大学(山东省医学科学院) 2021-10-08 CN disclosed
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2021-08-19 US disclosed
EP-3843716-A1 METHOD FOR TREATING LYSOSOMAL STORAGE DISEASE Exerkine Corporation (CA) 2021-07-07 EP disclosed
EP-3768290-A1 WEIGHT MANAGEMENT COMPOSITION Exerkine Corporation (CA) 2021-01-27 EP disclosed
CN-112118855-A Weight management composition 爱瑟金股份有限公司 2020-12-22 CN disclosed
US-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2020-08-06 US disclosed
US-20200230197-A1 MULTI-NUTRIENT COMPOSITION EXERKINE CORP (CA) 2020-07-23 US disclosed
WO-2020041871-A1 METHOD FOR TREATING LYSOSOMAL STORAGE DISEASE EXERKINE CORPORATION (CA) 2020-03-05 WO disclosed
US-20190350997-A1 Weight Management Composition EXERKINE CORPORATIOIN (CA) 2019-11-21 US disclosed
WO-2019191338-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC (US) 2019-10-03 WO disclosed
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS THERMOLIFE INTERNATIONAL, LLC 2019-10-03 US disclosed
WO-2019178689-A1 WEIGHT MANAGEMENT COMPOSITION EXERKINE CORPORATION (CA) 2019-09-26 WO disclosed
WO-2019150323-A1 SPORTS SUPPLEMENTS BASED ON LIQUID CREATINE OSTOJIC SERGEJ (RS) 2019-08-08 WO disclosed
US-10265317-B2 Combination of creatine, an omega-3 fatty acid, and citicoline UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-04-23 US disclosed
WO-2019071353-A1 USE OF SYSTEM XC- INHIBITOR FOR TREATING STATIN-INDUCED MYALGIA EXERKINE CORPORATION (CA) 2019-04-18 WO disclosed
CN-108929249-A A kind of new technique for synthesizing of ethyl creatine ester hydrochloride 泰山医学院 2018-12-04 CN disclosed
US-20180263983-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE UNIV UTAH RES FOUND (US) 2018-09-20 US disclosed
WO-2018157258-A1 MULTI-NUTRIENT COMPOSITION EXERKINE CORPORATION (CA) 2018-09-07 WO disclosed
US-10058552-B2 Combination of creatine, an omega-3 fatty acid, and citicoline UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2018-08-28 US disclosed
US-20170165264-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2017-06-15 US disclosed
US-20170020834-A1 PROPHYLACTIC USE OF NEUROPROTECTANTS IN SPORTS-RELATED TRAUMATIC BRAIN INJURY NEUROLOGICS GROUP, LLC 2017-01-26 US disclosed
EP-3102227-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE University Of Utah Research Foundation (US) 2016-12-14 EP disclosed
CN-106102765-A Combination of creatine, omega-3 fatty acid and citicoline 犹他大学研究基金会 2016-11-09 CN disclosed
US-20160082065-A1 PROPHYLACTIC USE OF NEUROPROTECTANTS IN SPORTS-RELATED TRAUMATIC BRAIN INJURY NEUROLOGICS GROUP, LLC 2016-03-24 US disclosed
WO-2015120299-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-08-13 WO disclosed
US-20130324609-A1 DEPRESSION DISORDER THERAPEUTICS WITH CREATINE ANALOGS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-12-05 US disclosed
WO-2012048243-A2 DEPRESSION DISORDER THERAPEUTICS WITH CREATINE ANALOGS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-04-12 WO disclosed
US-20110123654-A1 SYNERGISTIC ENHANCEMENT OF CELLULAR ERGOGENIC NUTRIENT UPTAKE, LIKE CREATINE OR CARNITINE, WITH TARRAGON FINZELBERG GMBH & CO. KG (DE) 2011-05-26 US disclosed
EP-2303040-A1 SYNERGISTIC ENHANCEMENT OF CELLULAR ERGOGENIC NUTRIENT UPTAKE, LIKE CREATINE OR CARNITINE, WITH TARRAGON PhytoLab GmbH & Co. KG (DE) 2011-04-06 EP disclosed
WO-2009147229-A1 SYNERGISTIC ENHANCEMENT OF CELLULAR ERGOGENIC NUTRIENT UPTAKE, LIKE CREATINE OR CARNITINE, WITH TARRAGON PHYTOLAB GMBH & CO. KG (DE) 2009-12-10 WO disclosed
US-7226947-B1 Use of creatine as a fat substitute ALZCHEM TROSTBERG GMBH (DE) 2007-06-05 US disclosed
CN-1224328-C Use of creatine as fodder additive DSM FINE CHEM AUSTRIA GMBH (AT) 2005-10-26 CN disclosed
CN-1350434-A Use of creatine as fodder additive DSM FINE CHEMICALS AUSTRIA (AT) 2002-05-22 CN disclosed
CN-1350434-A Use of creatine as fodder additive DSM FINE CHEMICALS AUSTRIA (AT) 2002-05-22 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200246262-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885
US-11154499-B2 Creatine and/or creatinine compositions and related methods MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885
US-20190298667-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB NOS3 3810/4885NOS1 4018/4885NOS2 3880/4885
US-20230201115-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB NOS3 4094/4885NOS1 4060/4885NOS2 3835/4885
US-11633354-B2 Creatine and/or creatinine compositions and related methods MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885
US-20170165264-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE CHAT, CHKA, CRAT NOS3 461/4885NOS1 2502/4885NOS2 2158/4885
US-20230062170-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS CKMT1A; CKMT1B, REN, ALB NOS3 3810/4885NOS1 4018/4885NOS2 3880/4885
US-10058552-B2 Combination of creatine, an omega-3 fatty acid, and citicoline CHAT, CHKA, CRAT NOS3 461/4885NOS1 2502/4885NOS2 2158/4885
US-10265317-B2 Combination of creatine, an omega-3 fatty acid, and citicoline CHAT, CHKA, CRAT NOS3 461/4885NOS1 2502/4885NOS2 2158/4885
US-20130324609-A1 DEPRESSION DISORDER THERAPEUTICS WITH CREATINE ANALOGS CKMT1A; CKMT1B, KYNU, AADAT NOS3 2481/4885NOS1 2604/4885NOS2 2904/4885
US-20210251895-A1 CREATINE AND/OR CREATININE COMPOSITIONS AND RELATED METHODS MB, CKMT1A; CKMT1B, REN NOS3 3285/4885NOS1 2779/4885NOS2 2173/4885
US-20260014220-A1 Method for Treating Lysosomal Storage Disease HADHB, LIPA, CPT1B NOS3 2917/4885NOS1 3565/4885NOS2 3882/4885
US-20180263983-A1 COMBINATION OF CREATINE, AN OMEGA-3 FATTY ACID, AND CITICOLINE CHAT, CHKA, CRAT NOS3 461/4885NOS1 2502/4885NOS2 2158/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.