SCHEMBL4145046

SCHEMBL4145046

CC(C)N(CC[C@H](c1ccccc1)c1cc(C=O)ccc1OCc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.51
CHRM1 P11229 3/20 0.51
CHRM5 P08912 2/20 0.44
CHRM3 P20309 2/20 0.44
HRH1 P35367 2/20 0.44
LMNA P02545 2/20 0.44
KCNH2 Q12809 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.44
CHRM4 P08173 1/20 0.44
KCNE1 P15382 1/20 0.44
PTGS1 P23219 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNQ1 P51787 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 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
SCHEMBL5178508 1.00 CHRM2 (0.51) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL27766210 0.93 CHRM2 (0.44) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179277 0.89 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179612 0.89 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179279 0.89 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL6934593 0.87 CHRM2 (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL6934595 0.87 CHRM2 (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL13196106 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL19212492 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL19212477 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9315450-B2 Desfesoterodine salts RATIOPHARM GMBH (DE) 2016-04-19 US disclosed
US-9315450-B2 Desfesoterodine salts RATIOPHARM GMBH (DE) 2016-04-19 US disclosed
EP-2760822-B1 DESFESOTERODINE SALTS RATIOPHARM GMBH (DE) 2016-03-23 EP disclosed
US-20150152044-A1 DESFESOTERODINE SALTS RATIOPHARM GMBH (DE) 2015-06-04 US disclosed
US-20150152044-A1 DESFESOTERODINE SALTS RATIOPHARM GMBH (DE) 2015-06-04 US disclosed
WO-2013188829-A1 DESFESOTERODINE SALTS RATIOPHARM GMBH (DE) 2013-12-19 WO disclosed
US-20130197082-A1 SHORT SYNTHESIS OF TOLTERODINE, INTERMEDIATES AND METABOLITES LEK PHARMACEUTICALS D.D. (SI) 2013-08-01 US disclosed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 WO disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 WO disclosed
EP-1019358-B2 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PFIZER HEALTH AB (SE) 2007-09-12 EP disclosed
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 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 (3 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-20130197082-A1 SHORT SYNTHESIS OF TOLTERODINE, INTERMEDIATES AND METABOLITES COMT, UGT1A7, PAH CHRM2 867/4885CHRM1 1092/4885CHRM5 1945/4885
US-20150152044-A1 DESFESOTERODINE SALTS TES, SYMPK, ADRB3 CHRM2 223/4885CHRM1 433/4885CHRM5 579/4885
US-20070265303-A1 Amine derivatives HNMT, HRH4, CMA1 CHRM2 142/4885CHRM1 87/4885CHRM5 150/4885

“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.