SCHEMBL4587557

SCHEMBL4587557

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.36
CA2 P00918 18/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ELANE P08246 1/20 0.31

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
Hydrochloric Acid SCHEMBL2191452 0.98 CA1 (0.35) CA1CA2NOS3NOS1NOS2
SCHEMBL15759497 0.84 DGAT1 (0.34) CA1CA2CA12CA9ELANE
SCHEMBL25515866 0.83 CA1 (0.43) CA1CA2
SCHEMBL22930932 0.81 CA12 (0.35) CA1CA2CA12CA9ELANE
SCHEMBL12508285 0.80 CA1 (0.32) CA1CA2NOS3NOS1NOS2
SCHEMBL3812152 0.79 NOS3 (0.39) CA1CA2NOS3NOS1NOS2
SCHEMBL17837034 0.78 NR1D1 (0.31) CA1CA2CA12CA9
SCHEMBL17837035 0.78 NR1D1 (0.31) CA1CA2CA12CA9
SCHEMBL13897077 0.78 NOS3 (0.38) CA1CA2NOS3NOS1NOS2
Water SCHEMBL21810558 0.78 NOS3 (0.38) CA1CA2NOS3NOS1NOS2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080254198-A1 Method of Preparing Creatine Ester Salts and Uses Thereof BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) 2008-10-16 US claimed
US-20250017886-A1 FORMULATIONS AND METHODS FOR INCREASING CREATININE LEVELS IN PLASMA, EXTRACELLULAR FLUID AND/OR INTRACELLULAR COMPARTMENTS VIREO SYSTEMS, INC. (US) 2025-01-16 US disclosed
US-20230159442-A1 CELLULAR ENERGY COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF VIREO SYSTEMS, INC. (US) 2023-05-25 US disclosed
US-20190247354-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2019-08-15 US disclosed
US-10206897-B2 Creatine ester anti-inflammatory compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2019-02-19 US disclosed
US-20180153844-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2018-06-07 US disclosed
US-20180153844-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2018-06-07 US disclosed
US-9833427-B2 Creatine ester anti-inflammatory compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-12-05 US disclosed
US-9833427-B2 Creatine ester anti-inflammatory compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-12-05 US disclosed
US-20170202241-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2017-07-20 US disclosed
US-20120302519-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC. (US) 2012-11-29 US disclosed
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-09-15 US disclosed
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-09-15 US disclosed
WO-2011097421-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES MEH ASSOCIATES, INC (US) 2011-08-11 WO disclosed
US-20110172306-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2011-07-14 US disclosed
US-20110172306-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2011-07-14 US disclosed
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF 2009-05-28 US disclosed
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF 2009-05-28 US disclosed
US-20070203076-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2007-08-30 US disclosed
US-20070203076-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2007-08-30 US 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 (11 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-20250017886-A1 FORMULATIONS AND METHODS FOR INCREASING CREATININE LEVELS IN PLASMA, EXTRACELLULAR FLUID AND/OR INTRACELLULAR COMPARTMENTS GLS, ALB, REN CA1 2637/4885CA2 2553/4885NOS3 3880/4885
US-20180153844-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT CA1 2415/4885CA2 901/4885NOS3 532/4885
US-20190247354-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT CA1 2415/4885CA2 901/4885NOS3 532/4885
US-20170202241-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, PYGM CA1 3741/4885CA2 3569/4885NOS3 3416/4885
US-10206897-B2 Creatine ester anti-inflammatory compounds and formulations CKMT1A; CKMT1B, CPT1B, CRAT CA1 2415/4885CA2 901/4885NOS3 532/4885
US-20110172306-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, PYGM CA1 3741/4885CA2 3569/4885NOS3 3416/4885
US-20120302519-A1 MULTIPLE SUBSTITUTED FLUOROMETHANES AS SELECTIVE AND BIOACTIVE ISOSTERES F2R, FDPS, MRGPRX2 CA1 2187/4885CA2 1964/4885NOS3 2883/4885
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT CA1 2415/4885CA2 901/4885NOS3 532/4885
US-20070203076-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, PYGM CA1 3741/4885CA2 3569/4885NOS3 3416/4885
US-20230159442-A1 CELLULAR ENERGY COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF PC, PCK2, MAVS CA1 3184/4885CA2 1160/4885NOS3 2442/4885
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT CA1 2415/4885CA2 901/4885NOS3 532/4885

“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.