SCHEMBL533754

SCHEMBL533754

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3cc(Cl)ccc32)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.70
AVPR1A P37288 3/20 0.70
ABCB11 O95342 1/20 0.70
ADRB2 P07550 1/20 0.70
HTR1A P08908 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CHRM1 P11229 1/20 0.70
TBXA2R P21731 1/20 0.70
HTR2C P28335 1/20 0.70
HRH1 P35367 1/20 0.70
OPRM1 P35372 1/20 0.70
GLP1R P43220 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
FFAR4 Q5NUL3 1/20 0.70
GPR119 Q8TDV5 1/20 0.70
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
OXTR P30559 1/20 0.52

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
SCHEMBL30354671 1.00 AVPR2 (0.70) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL31344362 1.00 AVPR2 (0.70) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL14962830 0.92 AVPR2 (0.67) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL12076284 0.91 AVPR2 (0.61) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL26405946 0.91 AVPR2 (0.68) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL20407284 0.87 AVPR2 (0.71) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL12076275 0.86 AVPR2 (0.60) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7351642 0.86 AVPR2 (0.57) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL28625477 0.85 AVPR2 (0.51) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL26405907 0.84 AVPR2 (0.60) AVPR2AVPR1AABCB11ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756717-A Tolvaptan intermediate and preparation method of tollvaptan 广州市桐晖药业有限公司 2024-03-26 CN claimed
US-9428461-B2 Process for the preparation of a benzazepine derivative RPG LIFE SCIENCES LIMITED (IN) 2016-08-30 US claimed
US-9024015-B2 Process for preparing tolvaptan intermediates HETERO RESEARCH FOUNDATION (IN) 2015-05-05 US claimed
US-20150112059-A1 PROCESS FOR THE PREPARATION OF A BENZAZEPINE DERIVATIVE RPG LIFE SCIENCES LIMITED (IN) 2015-04-23 US claimed
EP-2261215-B1 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMA CO LTD (JP) 2014-12-31 EP claimed
EP-2624693-A1 PROCESS FOR PREPARING TOLVAPTAN INTERMEDIATES Hetero Research Foundation (IN) 2013-08-14 EP claimed
US-20130190490-A1 PROCESS FOR PREPARING TOLVAPTAN INTERMEDIATES HETERO RESEARCH FOUNDATION (IN) 2013-07-25 US claimed
US-8273735-B2 Process for preparing benzazepine compounds or salts thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-25 US claimed
WO-2012046244-A1 PROCESS FOR PREPARING TOLVAPTAN INTERMEDIATES HETERO RESEARCH FOUNDATION (IN) 2012-04-12 WO claimed
EP-2261215-A1 Process for preparing benzazepine compounds or salts thereof Otsuka Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP claimed
US-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US claimed
EP-1919874-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2008-05-14 EP claimed
WO-2007026971-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO claimed
CN-117756717-A Tolvaptan intermediate and preparation method of tollvaptan 广州市桐晖药业有限公司 2024-03-26 CN disclosed
US-20240076279-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF XUZHOU MEDICAL UNIVERSITY (CN) 2024-03-07 US disclosed
WO-2022156449-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF 徐州医科大学 2022-07-28 WO disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP 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 (4 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 3/4885ABCB11 746/4885
US-20240076279-A1 NOVEL BENZOAZEPINE COMPOUND, AND COMPOSITION AND USE THEREOF AVPR1B, AVPR2, AVPR1A AVPR2 2/4885AVPR1A 3/4885ABCB11 956/4885
US-20150112059-A1 PROCESS FOR THE PREPARATION OF A BENZAZEPINE DERIVATIVE HTR5A, HTR4, HTR2C AVPR2 159/4885AVPR1A 196/4885ABCB11 955/4885
US-20130190490-A1 PROCESS FOR PREPARING TOLVAPTAN INTERMEDIATES HTR5A, TPH1, HTR4 AVPR2 137/4885AVPR1A 171/4885ABCB11 721/4885

“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.