SCHEMBL623786

SCHEMBL623786

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL4281971 0.84 NOS3 (0.35) NOS3NOS1NOS2CA1CA2
SCHEMBL1286967 0.83 NOS3 (0.37) NOS3NOS1NOS2CA1CA2
SCHEMBL3812152 0.83 NOS3 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL1883327 0.82 NOS3 (0.36) NOS3NOS1NOS2CA1CA2
Water SCHEMBL21810558 0.81 NOS3 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL28272895 0.79 NOS3 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL941222 0.78 ALDH1A1 (0.38) NOS3NOS1NOS2CA1CA2
SCHEMBL21404061 0.78 CA1 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL3368527 0.78 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL5345186 0.76 CA1 (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 290 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240138438-A1 CREATINE NUTRITIONAL SUPPLEMENT MENTER DYLAN (US) 2024-05-02 US claimed
US-11865097-B2 Creatine nutritional supplement MENTER DYLAN (US) 2024-01-09 US claimed
US-20230233499-A1 CREATINE NUTRITIONAL SUPPLEMENT MENTER DYLAN (US) 2023-07-27 US claimed
US-11690858-B1 Neuroprotective mixture for mitigating the harmful effects of ischemic stroke TRICERAPRO HOLDING, LLC (US) 2023-07-04 US claimed
US-11642327-B2 Creatine nutritional supplement MENTER DYLAN ROBERT (US) 2023-05-09 US claimed
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-20220287346-A1 STABLE CREATINE BEVERAGES THE COCA-COLA COMPANY 2022-09-15 US claimed
EP-4017282-A1 STABLE CREATINE BEVERAGES The Coca-Cola Company (US) 2022-06-29 EP claimed
US-20220054442-A1 Creatine Nutritional Supplement MENTER DYLAN (US) 2022-02-24 US claimed
EP-1744732-A2 NUTRITIONAL COMPOSITION FOR INCREASING CREATINE UPTAKE IN SKELETAL MUSCLE Thermo Formulations Ltd. (CA) 2007-01-24 EP claimed
US-20060280814-A1 Nutritional composition for increasing creatine uptake in skeletal muscle GARDINER PAUL T 2006-12-14 US claimed
WO-2005110448-A2 NUTRITIONAL COMPOSITION FOR INCREASING CREATINE UPTAKE IN SKELETAL MUSCLE THERMO FORMULATIONS LTD. (CA) 2005-11-24 WO claimed
WO-2005107735-A2 NUTRITIONAL COMPOSITION FOR ENHANCING LEAN MUSCLE STIMULUS, GROWTH, STRENGTH AND RECOVERY, CREATING AND PROLONGING INTENSE MUSCLE PUMPS, SUPPORTING ENDURANCE, STRENGTH, PERFORMANCE, SIZE AND STAMINA, PROVIDING A TRANSDUCER EFFECT FOR NITRIC OXIDE, INCRESING NUTRIENT DELIVERY AND/OR PROMOTING INCREASED VASCULAR RESPONSE IN A PUMP FORMULATIONS, LTD. (CA) 2005-11-17 WO 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
US-20040228884-A1 Ion-pair delivery system for cosmetic and pharmaceutical compositions GUPTA SHYAM K (US) 2004-11-18 US claimed
US-20040156873-A1 Topically Bioavailable Acne and Rosacea Treatment Compositions GUPTA SHYAM K (US) 2004-08-12 US claimed
US-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions GUPTA SHYAM K (US) 2004-05-13 US claimed
CN-1350434-A Use of creatine as fodder additive DSM FINE CHEMICALS AUSTRIA (AT) 2002-05-22 CN claimed

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

For each of this compound's patents that has machine-readable text (2 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-20040092482-A1 Hydroxy acids based delivery systems for skin resurfacing and anti-aging compositions CUTA, HIRA, HARS1 NOS3 2825/4885NOS1 2319/4885NOS2 1479/4885
US-20060280814-A1 Nutritional composition for increasing creatine uptake in skeletal muscle CPT1B, CKMT1A; CKMT1B, MTPN NOS3 922/4885NOS1 352/4885NOS2 591/4885

“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.