SCHEMBL4832060

SCHEMBL4832060

Cc1ccc(OCc2ccccc2)c(C(CCN(CCC(c2ccccc2)c2cc(C)ccc2OCc2ccccc2)C(C)C)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.50
CHRM1 P11229 3/20 0.50
MAPT P10636 3/20 0.50
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
HRH1 P35367 2/20 0.50
LMNA P02545 2/20 0.50
ESR1 P03372 1/20 0.50
CHRM4 P08173 1/20 0.50
KCNE1 P15382 1/20 0.50
PTGS1 P23219 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNQ1 P51787 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50

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
SCHEMBL4829373 0.94 CHRM3 (0.61) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL1900039 0.91 CHRM2 (0.62) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL12121773 0.91 CHRM2 (0.62) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL15459396 0.91 CHRM2 (0.62) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL12121795 0.86 CHRM2 (0.51) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL12121797 0.85 CHRM2 (0.54) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL13915739 0.85 CHRM2 (0.53) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL14080326 0.84 MAPT (0.43) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL12121774 0.84 MAPT (0.43) CHRM2CHRM1MAPTCHRM5CHRM3
SCHEMBL4443906 0.83 CHRM2 (0.48) CHRM2CHRM1MAPTCHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US claimed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US claimed
US-20060094904-A1 Reacting methyl 3-(2-benzyloxy-5-methyl phenyl)-3-phenylpropionate with a reducing agent to form 3-(2-benzyloxy-5-methylphenyl)-3-phenylpropanol DR. REDDY'S LABORATORIES LIMITED (IN) 2006-05-04 US claimed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US disclosed
US-20060094904-A1 Reacting methyl 3-(2-benzyloxy-5-methyl phenyl)-3-phenylpropionate with a reducing agent to form 3-(2-benzyloxy-5-methylphenyl)-3-phenylpropanol DR. REDDY'S LABORATORIES LIMITED (IN) 2006-05-04 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 (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-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE ADRA2B, ADRB3, ADRB1 CHRM2 287/4885CHRM1 796/4885MAPT 1943/4885
US-20060094904-A1 Reacting methyl 3-(2-benzyloxy-5-methyl phenyl)-3-phenylpropionate with a reducing agent to form 3-(2-benzyloxy-5-methylphenyl)-3-phenylpropanol ADRB3, UGT1A3, COMT CHRM2 292/4885CHRM1 589/4885MAPT 400/4885

“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.