SCHEMBL6991836

SCHEMBL6991836

Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.65
AVPR1A P37288 5/20 0.65
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
ALDH1A1 P00352 5/20 0.51
TSHR P16473 4/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48

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
SCHEMBL7347078 0.96 AVPR2 (0.71) AVPR2AVPR1ACA1CA2CA7
SCHEMBL7351134 0.93 AVPR2 (0.59) AVPR2AVPR1ACA1CA2CA7
SCHEMBL1495885 0.88 ALDH1A1 (0.58) AVPR2AVPR1ACA1CA2CA7
SCHEMBL6955225 0.84 AVPR2 (0.73) AVPR2AVPR1ACA1CA2CA7
SCHEMBL6965406 0.83 AVPR2 (0.92) AVPR2AVPR1ACA1CA2CA7
SCHEMBL28337849 0.82 AVPR2 (0.56) AVPR2AVPR1AALDH1A1TSHRLMNA
SCHEMBL7349936 0.82 HDAC1 (0.54) AVPR2AVPR1ACA1CA2CA7
SCHEMBL6990464 0.82 ALDH1A1 (0.52) ALDH1A1TSHRLMNAUSP2TP53
SCHEMBL7351280 0.82 AVPR2 (0.50) AVPR2AVPR1ACA1CA2CA7
SCHEMBL7350992 0.82 ALDH1A1 (0.53) AVPR2AVPR1ACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501730-B2 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8273735-B2 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-20120226034-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-06 US disclosed
US-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-0709386-B1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1097920-A1 Intermediate for condensed benzazepine derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-05-09 EP disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5856564-A CHEMICAL INTERMEDIATE FOR VASOPRESSIN ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5723606-A Condensed benzazepine derivative and pharmaceutical composition thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0709386-A1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-05-01 EP disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885CA1 930/4885
US-20120226034-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885CA1 930/4885

“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.