SCHEMBL998303

SCHEMBL998303

NC(C(=O)NC1CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
GRM7 Q14831 2/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM1A O60341 1/20 0.46
EPHX1 P07099 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR1 P32246 1/20 0.45
BLM P54132 1/20 0.44

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
SCHEMBL4154774 1.00 TSHR (0.50) TSHRCCNA2CDK2CCNA1GRM7
Hydrochloric Acid SCHEMBL21994987 0.98 TSHR (0.49) TSHRCCNA2CDK2CCNA1GRM7
SCHEMBL6376772 0.92 TSHR (0.61) TSHRGAANPSR1CYP3A4CYP2C19
SCHEMBL21237659 0.92 TSHR (0.61) TSHRGAANPSR1CYP3A4CYP2C19
SCHEMBL6529716 0.92 TSHR (0.61) TSHRGAANPSR1CYP3A4CYP2C19
SCHEMBL2317579 0.82 SIGMAR1 (0.64) KMT2AALDH1A1
SCHEMBL6437249 0.81 POLB (0.62) TSHRGRM7CCR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4198661 0.81 SIGMAR1 (0.62) KMT2AALDH1A1
SCHEMBL5672288 0.79 POLB (0.42) TSHRGRM7GAANPSR1CYP3A4
SCHEMBL5566036 0.79 TSHR (0.43) TSHRCCNA2CDK2CCNA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 US claimed
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-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-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
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-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
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
EP-1578725-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed
WO-2004056777-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 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 (3 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-20040132745-A1 Microsomal triglyceride transfer protein inhibitor MTTP, CETP, APOB TSHR 2002/4885CCNA2 4469/4885CDK2 3561/4885
US-20140329837-A1 ARYLPYRAZINONES SUCH AS BUT NOT LIMITED TO 3-(4-CHLOROPHENYL-1-ETHYLPYRAZIN-2-(1H0)-ONE IAPP, GPR119, GLP1R TSHR 184/4885CCNA2 3208/4885CDK2 1260/4885
US-20110046159-A1 Arylpyrazinone derivatives insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GLP1R, GPR119, IAPP TSHR 17/4885CCNA2 1241/4885CDK2 774/4885

“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.