SCHEMBL9109563

SCHEMBL9109563

CC(C)N(CCC(c1ccccc1)c1cc(C#N)ccc1O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.69
CHRM2 P08172 3/20 0.69
CHRM1 P11229 3/20 0.69
LMNA P02545 3/20 0.69
MAPT P10636 3/20 0.69
CHRM5 P08912 2/20 0.69
HRH1 P35367 2/20 0.69
ESR1 P03372 1/20 0.69
CHRM4 P08173 1/20 0.69
KCNE1 P15382 1/20 0.69
PTGS1 P23219 1/20 0.69
HRH2 P25021 1/20 0.69
HTR2A P28223 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1A P35348 1/20 0.69
OPRK1 P41145 1/20 0.69
KCNQ1 P51787 1/20 0.69
KCNH2 Q12809 1/20 0.69
CACNA1C Q13936 1/20 0.69
SCN5A Q14524 1/20 0.69

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
SCHEMBL9109556 1.00 CHRM3 (0.69) CHRM3CHRM2CHRM1LMNAMAPT
Cadaverine Tartrate SCHEMBL9104855 0.92 CHRM3 (0.73) CHRM3CHRM2CHRM1LMNAMAPT
Cadaverine Tartrate SCHEMBL9104827 0.92 CHRM3 (0.73) CHRM3CHRM2CHRM1LMNAMAPT
SCHEMBL820438 0.83 CHRM3 (0.74) CHRM3CHRM2CHRM1LMNAMAPT
SCHEMBL4663933 0.83 CHRM3 (0.74) CHRM3CHRM2CHRM1LMNAMAPT
SCHEMBL2473562 0.83 CHRM3 (0.78) CHRM3CHRM2CHRM1LMNAMAPT
SCHEMBL2473559 0.83 CHRM3 (0.78) CHRM3CHRM2CHRM1LMNAMAPT
Hydrochloric Acid SCHEMBL815785 0.82 CHRM3 (0.72) CHRM3CHRM2CHRM1LMNAMAPT
Tolterodine SCHEMBL1262757 0.82 CHRM3 (0.95) CHRM3CHRM2CHRM1LMNAMAPT
Tolterodine SCHEMBL36882 0.82 CHRM3 (1.00) CHRM3CHRM2CHRM1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044001-B1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES LEK PHARMACEUTICALS (SI) 2016-11-23 EP 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-20130197082-A1 SHORT SYNTHESIS OF TOLTERODINE, INTERMEDIATES AND METABOLITES LEK PHARMACEUTICALS D.D. (SI) 2013-08-01 US disclosed
US-8193391-B2 Process for preparation of 3-(2-hydroxy-5-substituted phenyl)-N-alkyl-3-phenylpropylamines LEK PHARMACEUTICALS, D.D. (SI) 2012-06-05 US disclosed
EP-2364966-A1 Process for preparation of 3-(2-hydroxy-5-substituted phenyl)-3-phenylpropylamines, intermediates for making hydroxytolterodine LEK Pharmaceuticals d.d. (SI) 2011-09-14 EP 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 (1 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 CHRM3 772/4885CHRM2 867/4885CHRM1 1092/4885

“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.