SCHEMBL958533

SCHEMBL958533

NC(=O)[C](c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
CYP2C19 P33261 2/20 0.62
TSHR P16473 2/20 0.62
CYP3A4 P08684 2/20 0.62
MAPT P10636 2/20 0.62
BLM P54132 2/20 0.62
HSD17B10 Q99714 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 1/20 0.62
PARP1 P09874 1/20 0.62
RECQL P46063 1/20 0.62
PMP22 Q01453 1/20 0.62
GAA P10253 1/20 0.54
CES1 P23141 5/20 0.52
CES2 O00748 4/20 0.52
ALDH1A1 P00352 3/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
F2 P00734 2/20 0.48
CA2 P00918 2/20 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
SCHEMBL27325956 0.78 TDP1 (0.62) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL10497226 0.78 TDP1 (0.62) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL7567511 0.78 TDP1 (0.62) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL1415252 0.78 TDP1 (0.62) TDP1CYP2C19TSHRCYP3A4MAPT
Benzoic Acid SCHEMBL27536326 0.78 TSHR (0.78) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL2905276 0.78 TDP1 (0.62) TDP1CYP2C19TSHRCYP3A4MAPT
SCHEMBL147282 0.78 CES2 (0.68) TDP1CYP2C19TSHRCYP3A4MAPT
Benzamide SCHEMBL1332331 0.77
SCHEMBL21755166 0.77 PARP1 (1.00) TDP1CYP2C19TSHRCYP3A4MAPT
Benzamide SCHEMBL30112947 0.77 PARP1 (1.00) TDP1CYP2C19TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900787-A1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORPORATION (JP) 1999-03-10 EP claimed
JP-10007652-A None JP disclosed
EP-2121594-B1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-10-21 EP disclosed
US-8802856-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-12 US disclosed
US-20140051864-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-02-20 US disclosed
US-8592453-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-11-26 US disclosed
US-8378121-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-02-19 US disclosed
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-8030502-B2 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects THERAVANCE, INC. (US) 2011-10-04 US disclosed
US-20110020231-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
WO-2004041806-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-05-21 WO disclosed
EP-0900787-B1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORP (JP) 2002-09-11 EP disclosed
EP-1020449-A1 IMIDAZOLINE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-07-19 EP disclosed
US-6005119-A Process for preparing pyrrolidine derivatives KANEKA CORPORATION (JP) 1999-12-21 US disclosed
US-6005119-A Process for preparing pyrrolidine derivatives KANEKA CORPORATION (JP) 1999-12-21 US disclosed
EP-0900787-A4 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORP (JP) 1999-08-11 EP disclosed
EP-0900787-A1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORPORATION (JP) 1999-03-10 EP disclosed
EP-0900787-A1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORPORATION (JP) 1999-03-10 EP disclosed
JP-H107652-A PRODUCTION OF PYRROLIDINE DERIVATIVE KANEGAFUCHI CHEM IND CO LTD 1998-01-13 JP disclosed
WO-1997040008-A1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORPORATION (JP) 1997-10-30 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-20110020231-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 TDP1 3916/4885CYP2C19 2546/4885TSHR 363/4885
US-20140051864-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 TDP1 3916/4885CYP2C19 2546/4885TSHR 363/4885

“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.