SCHEMBL533885

SCHEMBL533885

O=C1CCCNc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F7 P08709 1/20 0.47
PARP1 P09874 1/20 0.47
F3 P13726 1/20 0.47
PARP10 Q53GL7 1/20 0.47
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
VHL P40337 1/20 0.44
ELOC Q15369 1/20 0.44
ELOB Q15370 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL29721553 1.00 MEN1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6977492 0.89 MEN1 (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30051842 0.86 GAA (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3531650 0.86 GAA (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL26405759 0.79 F7 (0.40) MAPTKDM4EALDH1A1SMN1; SMN2F7
SCHEMBL6339024 0.79 MEN1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL14255904 0.79 ALDH1A1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19649488 0.79 ALDH1A1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3534887 0.76 PARP10 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6256563 0.75 MEN1 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1

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 63 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-9024015-B2 Process for preparing tolvaptan intermediates HETERO RESEARCH FOUNDATION (IN) 2015-05-05 US 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
WO-2012046244-A1 PROCESS FOR PREPARING TOLVAPTAN INTERMEDIATES HETERO RESEARCH FOUNDATION (IN) 2012-04-12 WO claimed
CN-119604507-A Benzazepine ring compound salt form, crystal form and application thereof 上海济煜医药科技有限公司 2025-03-11 CN disclosed
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
CN-114736119-B One-step preparation method of ethyl 4-bromobutyrate 迈奇化学股份有限公司 2024-02-06 CN disclosed
EP-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
EP-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
CN-219744775-U Continuous production device of ethyl 4-bromobutyrate 迈奇化学股份有限公司 2023-09-26 CN disclosed
CN-219424407-U Continuous reactor of ethyl 4-bromobutyrate 迈奇化学股份有限公司 2023-07-28 CN disclosed
EP-2251319-A2 Process for preparing derivatives of benzoic acid Otsuka Pharmaceutical Co., Ltd. (JP) 2010-11-17 EP disclosed
US-20090306369-A1 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1919874-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2008-05-14 EP disclosed
WO-2007026971-A2 PROCESS FOR PREPARING BENZAZEPINE COMPOUNDS OR SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-5677299-A VASOPRESSIN OR OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-10-14 US disclosed
US-5498609-A Benzoazepinyl compounds as oxytocin and vasopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0612319-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 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 MEN1 224/4885KMT2A 1587/4885MAPT 3415/4885
US-20130190490-A1 PROCESS FOR PREPARING TOLVAPTAN INTERMEDIATES HTR5A, TPH1, HTR4 MEN1 1523/4885KMT2A 967/4885MAPT 2993/4885

“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.