SCHEMBL7017630

SCHEMBL7017630

CCc1ccccc1-c1cccnc1[C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
PTPN13 Q12923 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
TRPA1 O75762 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
DPP4 P27487 1/20 0.35
DHFR P00374 1/20 0.35
GRM5 P41594 1/20 0.34
ADORA2A P29274 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL10390326 0.85 CYP11B1 (0.43) PTPRCCTSLCTSSPTPN13SGMS2
SCHEMBL7021136 0.85 NR1H2 (0.43)
SCHEMBL6507278 0.83 GABRA1 (0.39) SGMS2KDM4EALDH1A1GABRA1GABRB2
SCHEMBL22931645 0.77 VHL (0.44) PTPRCCTSLCTSSPTPN13SGMS2
SCHEMBL28338127 0.76 MAPT (0.45) SGMS2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6506893 0.75 GRM5 (0.42) KDM4EALDH1A1GRM5GABRA1GABRB2
SCHEMBL28348210 0.75 DHFR (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALOX5AP
SCHEMBL28192463 0.75 KDM4E (0.56) KDM4EALDH1A1ADORA2ACYP1A2
SCHEMBL7024820 0.74 ALDH1A1 (0.42) PTPRCCTSLCTSSPTPN13ALDH1A1
SCHEMBL198461 0.74 CSNK2A2 (0.52) TRPA1CSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (1 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B PTPRC 4809/4885CTSL 1003/4885CTSS 1776/4885

“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.