SCHEMBL3079790

SCHEMBL3079790

CCC1(CC)CNC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP19A1 P11511 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
SCHEMBL25051610 0.84 HSD17B10 (0.39) SMN1; SMN2LMNAKDM4ECYP2C19TSHR
SCHEMBL29020997 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKDM4ECYP2C19TSHR
SCHEMBL7442378 0.78 ELANE (0.41) SMN1; SMN2LMNATSHRNPSR1OPRM1
SCHEMBL5446397 0.77 CYP19A1 (0.38) SMN1; SMN2LMNAKDM4ECYP2C19TSHR
SCHEMBL7435181 0.77 KDM4E (0.40) SMN1; SMN2LMNAKDM4ECYP2C19TSHR
SCHEMBL11079770 0.77 LMNA (0.61) SMN1; SMN2LMNAKDM4ECYP2C19TSHR
SCHEMBL1665837 0.76 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKDM4ECYP2C19CYP19A1
SCHEMBL7436133 0.74
SCHEMBL14376977 0.72 KDM4E (0.32) SMN1; SMN2LMNAKDM4ECYP2C19TSHR
SCHEMBL7438840 0.71 TSHR (0.31) TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-7790739-B2 receptor tyrosine kinase MET inhibitors; anticancer agents; 8-phenyl-10H-furo[2',3':4,5]cyclohepta[1,2-b]pyridin-10-one Merck & Co., Inc. and Merck Sharp & Dohme Corp. (US) 2010-09-07 US disclosed
US-7625936-B2 3,5-Diphenyl-4,5-dihydro-1H-dipyrazole derivatives such as {2-[1-acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]ethyl}(dimethyl)silanol that are useful for treating cancer MERCK & CO. INC. (US) 2009-12-01 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-7618971-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-17 US disclosed
US-20090247565-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
US-7579355-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-25 US disclosed
EP-1599446-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF GABALACTAM HIKAL LTD (IN) 2009-08-12 EP disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-20070149536-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
US-20070142388-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BRADY STEPHEN F 2007-06-07 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed
US-4079011-A Composition containing a polyvinylpyrrolidone and method for stimulating well production TEXACO INC. (US) 1978-03-14 US disclosed
US-3962110-A POLYVINYL PYRROLIDONE TEXACO INC. (US) 1976-06-08 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 (7 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-20070149536-A1 Inhibitors of Akt activity AKT1, AKT2, AKT3 SMN1; SMN2 3892/4885LMNA 4297/4885KDM4E 1347/4885
US-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET SMN1; SMN2 4077/4885LMNA 3170/4885KDM4E 791/4885
US-20070043001-A1 Inhibitors of akt activity MTMR1, PIK3CA, PLK1 SMN1; SMN2 3055/4885LMNA 4548/4885KDM4E 849/4885
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A SMN1; SMN2 3181/4885LMNA 3729/4885KDM4E 4205/4885
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BPHL, KLK3, DNPEP SMN1; SMN2 3213/4885LMNA 3715/4885KDM4E 1171/4885
US-20070142388-A1 Inhibitors of Akt activity AKT2, AKT1, AKT3 SMN1; SMN2 3497/4885LMNA 4480/4885KDM4E 1493/4885
US-20090247565-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET SMN1; SMN2 3373/4885LMNA 4646/4885KDM4E 958/4885

“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.