SCHEMBL724558

SCHEMBL724558

Cc1c(O)ccc(O)c1[C@H](CCN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.63
CHRM2 P08172 5/20 0.63
HRH1 P35367 4/20 0.63
CHRM1 P11229 4/20 0.63
HTR2A P28223 3/20 0.63
CHRM5 P08912 2/20 0.63
SLC6A4 P31645 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
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
SCHEMBL724557 1.00 CHRM3 (0.63) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL1809358 0.87 CHRM3 (0.55) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL1809355 0.87 CHRM3 (0.55) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL6757073 0.87 CHRM3 (0.55) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL3770623 0.86 CHRM3 (0.54) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL6760485 0.85 CHRM3 (0.56) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL14988049 0.84 CHRM3 (0.58) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL6763951 0.83 CHRM3 (0.51) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL15141230 0.82 CHRM3 (0.50) CHRM3CHRM2HRH1CHRM1HTR2A
SCHEMBL1496992 0.82 CHRM3 (0.56) CHRM3CHRM2HRH1CHRM1HTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012678-B2 Processes for the preparation of fesoterodine CADILA HEALTHCARE LIMITED (IN) 2015-04-21 US claimed
US-20130197260-A1 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2013-08-01 US claimed
WO-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO claimed
US-9012678-B2 Processes for the preparation of fesoterodine CADILA HEALTHCARE LIMITED (IN) 2015-04-21 US disclosed
US-20130197260-A1 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2013-08-01 US disclosed
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 US disclosed
US-20110124903-A1 SOLID STATE FORMS OF FESOTERODINE INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-05-26 US disclosed
US-20100217034-A1 Process for the Preparation of Fesoterodine ACTAVIS GROUP PTC EHF (IS) 2010-08-26 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 (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-20130197260-A1 PROCESSES FOR THE PREPARATION OF FESOTERODINE QDPR, FES, SULT1A1 CHRM3 203/4885CHRM2 211/4885HRH1 435/4885
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS HPD, COMT, PNMT CHRM3 2337/4885CHRM2 1605/4885HRH1 261/4885
US-20100217034-A1 Process for the Preparation of Fesoterodine ADRB3, FES, QDPR CHRM3 41/4885CHRM2 107/4885HRH1 401/4885
US-20110124903-A1 SOLID STATE FORMS OF FESOTERODINE INTERMEDIATES FES, NISCH, RPS27A CHRM3 294/4885CHRM2 530/4885HRH1 1344/4885

“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.