SCHEMBL7939654

SCHEMBL7939654

CC(C)C1CC2CCCC(C1)N2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM4 P08173 5/20 0.36
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRNB2 P17787 1/20 0.36
HRH1 P35367 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL15854041 1.00 MAPK1 (0.43) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL16743568 1.00 MAPK1 (0.43) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL15469017 1.00 MAPK1 (0.43) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL15854040 0.90 CYP2C9 (0.52) LMNACYP2C9CHRM4CHRM2CHRM1
SCHEMBL15468904 0.90 CYP2C9 (0.52) LMNACYP2C9CHRM4CHRM2CHRM1
SCHEMBL803421 0.90 CYP2C9 (0.52) LMNACYP2C9CHRM4CHRM2CHRM1
SCHEMBL16743566 0.90 CYP2C9 (0.52) LMNACYP2C9CHRM4CHRM2CHRM1
SCHEMBL12271477 0.90 CYP2C9 (0.52) LMNACYP2C9CHRM4CHRM2CHRM1
SCHEMBL20756547 0.81 LMNA (0.42) LMNACYP2C9
SCHEMBL24072082 0.81 MAPK1 (0.31) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098656-A1 COMPOUNDS FOR THE DEGRADATION OF EGFR KINASE BEIGENE, LTD. (GB) 2023-06-08 WO disclosed
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-9951038-B2 Quinazolin-4(3H)-one-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-04-24 US disclosed
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 US disclosed
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF TADESSE DAWIT (US) 2016-01-07 US disclosed
US-20150238485-A1 OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS SHIONOGI & CO., LTD. (JP) 2015-08-27 US disclosed
US-9040533-B2 Oxime-substituted-quinoxaline-type piperidine compounds as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-05-26 US disclosed
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-01-08 US disclosed
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
US-8278301-B2 2-alkylbenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-02 US disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-09-10 US disclosed
US-7553846-B2 2-alkylbenzoxazole carboxamides as 5-HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2009-06-30 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-09-04 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A MAPK1 1227/4885LMNA 3775/4885CYP2C9 458/4885
US-20150238485-A1 OXIME-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AS ORL-1 MODULATORS OPRL1, OGFRL1, OPRD1 MAPK1 1040/4885LMNA 3666/4885CYP2C9 289/4885
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QDPR, P2RX5, P2RX1 MAPK1 2578/4885LMNA 3151/4885CYP2C9 140/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 MAPK1 2831/4885LMNA 2734/4885CYP2C9 932/4885
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A MAPK1 4000/4885LMNA 2708/4885CYP2C9 1000/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A MAPK1 4000/4885LMNA 2708/4885CYP2C9 1000/4885
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A MAPK1 4306/4885LMNA 3152/4885CYP2C9 668/4885
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A MAPK1 4288/4885LMNA 2774/4885CYP2C9 618/4885
US-20160002203-A1 QUINAZOLIN-4(3H)-ONE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF OPRK1, OPRD1, P2RX4 MAPK1 3313/4885LMNA 2413/4885CYP2C9 355/4885
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QSOX1, OPRK1, OPRD1 MAPK1 2649/4885LMNA 3597/4885CYP2C9 96/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A MAPK1 4288/4885LMNA 2774/4885CYP2C9 618/4885

“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.