SCHEMBL725535

SCHEMBL725535

Cc1ccc(OC(=O)C(C)C)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.77
CHRM1 P11229 4/20 0.77
CHRM3 P20309 3/20 0.63
CHRM5 P08912 2/20 0.63
HRH1 P35367 2/20 0.63
LMNA P02545 1/20 0.63
ESR1 P03372 1/20 0.63
CHRM4 P08173 1/20 0.63
MAPT P10636 1/20 0.63
KCNE1 P15382 1/20 0.63
PTGS1 P23219 1/20 0.63
HRH2 P25021 1/20 0.63
HTR2A P28223 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
OPRK1 P41145 1/20 0.63
KCNQ1 P51787 1/20 0.63
KCNH2 Q12809 1/20 0.63
CACNA1C Q13936 1/20 0.63
SCN5A Q14524 1/20 0.63

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
SCHEMBL13175653 1.00 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL14709412 1.00 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
Fumaric Acid SCHEMBL14696873 0.95 CHRM2 (0.70) CHRM2CHRM1CHRM3CHRM5HRH1
Fumaric Acid SCHEMBL14696874 0.95 CHRM2 (0.70) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL4859538 0.92 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL4879639 0.92 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL574530 0.92 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
Hydrochloric Acid SCHEMBL4771342 0.91 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2448532 0.89 CHRM2 (0.72) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL222314 0.88 CHRM2 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171274-A1 Fesoterodine Substantially Free of Dehydroxy Impurity ACTAVIS GROUP PTC EHF (IS) 2011-07-14 US claimed
EP-2855421-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES CRYSTAL PHARMA SAU (ES) 2018-03-21 EP disclosed
US-9751828-B2 Antimuscarinic compound having a low content of impurities DIPHARMA FRANCIS S.R.L. (IT) 2017-09-05 US disclosed
US-9751828-B2 Antimuscarinic compound having a low content of impurities DIPHARMA FRANCIS S.R.L. (IT) 2017-09-05 US disclosed
US-9440910-B2 Reference markers for fesoterodine fumarate ALEMBIC PHARMACEUTICALS LIMITED (IN) 2016-09-13 US disclosed
US-9440910-B2 Reference markers for fesoterodine fumarate ALEMBIC PHARMACEUTICALS LIMITED (IN) 2016-09-13 US disclosed
EP-2545024-B1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-3-PHENYLPROPYLAMINES, INTERMEDIATES FOR MAKING HYDROXYTOLTERODINE AND FESOTERODINE LEK PHARMACEUTICALS (SI) 2016-08-03 EP disclosed
US-20160031796-A1 ANTIMUSCARINIC COMPOUND HAVING A LOW CONTENT OF IMPURITIES DIPHARMA FRANCIS S.R.L. (IT) 2016-02-04 US disclosed
US-20160031796-A1 ANTIMUSCARINIC COMPOUND HAVING A LOW CONTENT OF IMPURITIES DIPHARMA FRANCIS S.R.L. (IT) 2016-02-04 US disclosed
US-20150175526-A2 THE NOVEL REFERENCE MARKERS FOR FESOTERODINE FUMARATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2015-06-25 US disclosed
WO-2010010464-A2 FESOTERODINE SUBSTANTIALLY FREE OF DEHYDROXY IMPURITY ACTAVIS GROUP PTC EHF (IS) 2010-01-28 WO disclosed
WO-2010010464-A2 FESOTERODINE SUBSTANTIALLY FREE OF DEHYDROXY IMPURITY ACTAVIS GROUP PTC EHF (IS) 2010-01-28 WO disclosed
EP-1461306-B1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN CO LLC (US) 2008-12-24 EP disclosed
EP-1461306-B1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN CO LLC (US) 2008-12-24 EP disclosed
US-7439397-B2 reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis PFIZER INC (US) 2008-10-21 US disclosed
US-20050148672-A1 Quaternary ammonium compounds RICHARDS IVAN (US) 2005-07-07 US disclosed
US-6890920-B2 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY (US) 2005-05-10 US disclosed
US-20040220224-A1 Method of treating irritable bowel syndrome PFIZER INC 2004-11-04 US disclosed
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 US disclosed
US-20030158176-A1 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY 2003-08-21 US 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 (7 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-20160031796-A1 ANTIMUSCARINIC COMPOUND HAVING A LOW CONTENT OF IMPURITIES ADRA2B, ADRB2, ADRA1B CHRM2 9/4885CHRM1 60/4885CHRM3 4/4885
US-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A CHRM2 30/4885CHRM1 33/4885CHRM3 32/4885
US-20150175526-A2 THE NOVEL REFERENCE MARKERS FOR FESOTERODINE FUMARATE SHBG, FES, KLK3 CHRM2 163/4885CHRM1 739/4885CHRM3 146/4885
US-20030158176-A1 Quaternary ammonium compounds CLIC1, CLIC4, CORO1C CHRM2 157/4885CHRM1 27/4885CHRM3 129/4885
US-20050148672-A1 Quaternary ammonium compounds BET1, EP300, BRD4 CHRM2 2552/4885CHRM1 985/4885CHRM3 2026/4885
US-20040220224-A1 Method of treating irritable bowel syndrome SI, VIP, SLC10A2 CHRM2 950/4885CHRM1 1033/4885CHRM3 897/4885
US-20110171274-A1 Fesoterodine Substantially Free of Dehydroxy Impurity HSD17B7, CYP17A1, CYP21A2 CHRM2 729/4885CHRM1 786/4885CHRM3 548/4885

“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.