SCHEMBL996287

SCHEMBL996287

CCNC(=O)C(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
S1PR3 Q99500 2/20 0.51
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
GPR88 Q9GZN0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TRPA1 O75762 1/20 0.42
CTSL P07711 1/20 0.42
HTRA1 Q92743 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2520224 0.84 S1PR3 (0.53) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL5575578 0.84 S1PR3 (0.53) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL4277192 0.82 S1PR3 (0.53) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL31750821 0.82 S1PR3 (0.50) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL4289099 0.82 S1PR3 (0.53) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL999536 0.82 S1PR3 (0.53) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL1525463 0.81 S1PR3 (0.52) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL1525552 0.81 S1PR3 (0.52) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL1525465 0.81 S1PR3 (0.52) CTSSCTSKS1PR3PPARGPPARA
SCHEMBL16171643 0.80 TRPA1 (0.50) CTSSCTSKS1PR3PPARGPPARA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233937-B2 Method of stimulating insulin secretion and/or modulating INS-1 kinase with substituted pyrazinones and/or substituted tetrahydroquinoxalinones MERCK PATENT GMBH (FR) 2016-01-12 US disclosed
US-9233937-B2 Method of stimulating insulin secretion and/or modulating INS-1 kinase with substituted pyrazinones and/or substituted tetrahydroquinoxalinones MERCK PATENT GMBH (FR) 2016-01-12 US disclosed
US-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE MERCK PATENT GMBH (FR) 2014-11-06 US disclosed
US-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE MERCK PATENT GMBH (FR) 2014-11-06 US disclosed
US-8815859-B2 Substituted pyrazin-2-ones and substituted 5,6,7,8-tetrahydroquinoxalin-2-ones and methods of use thereof MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815859-B2 Substituted pyrazin-2-ones and substituted 5,6,7,8-tetrahydroquinoxalin-2-ones and methods of use thereof MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2268624-B1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2013-07-31 EP disclosed
EP-2268624-B1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2013-07-31 EP disclosed
CN-102015661-A Arylpyrazinone derivative insulin secretion stimulators, methods for obtaining them and their use for the treatment of diabetes MERCK PATENT GMBH 2011-04-13 CN disclosed
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-02-24 US disclosed
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GESELLSCHAFT (DE) 2011-02-24 US disclosed
EP-2268624-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2011-01-05 EP disclosed
WO-2009132739-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-11-05 WO disclosed
WO-2009132739-A1 ARYLPYRAZINONE DERIVATIVES INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-11-05 WO 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 (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-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE IAPP, GPR119, GLP1R CTSS 1688/4885CTSK 498/4885S1PR3 3100/4885
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GLP1R, GPR119, IAPP CTSS 1679/4885CTSK 1512/4885S1PR3 1583/4885

“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.