Tolterodine

Tolterodine

SCHEMBL3098149

Cc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM2CHRM3

The experimentally established mechanism targets of Tolterodine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 9/20 1.00
CHRM2 known ✓ P08172 3/20 1.00
ADRB2 P07550 8/20 1.00
CHRM1 P11229 3/20 1.00
CHRM5 P08912 2/20 1.00
HRH1 P35367 2/20 1.00
CX3CR1 P49238 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
FFAR4 Q5NUL3 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
MAPT P10636 3/20 0.84
LMNA P02545 2/20 0.84
ESR1 P03372 1/20 0.84
CHRM4 P08173 1/20 0.84
KCNE1 P15382 1/20 0.84
PTGS1 P23219 1/20 0.84
HRH2 P25021 1/20 0.84
HTR2A P28223 1/20 0.84
SLC6A4 P31645 1/20 0.84
ADRA1A P35348 1/20 0.84

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
Tolterodine SCHEMBL6472968 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL2403972 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL110955 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL467372 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL36881 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL1560185 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL29873356 1.00 CHRM3 (1.00) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL6024199 0.98 CHRM3 (0.96) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL6024194 0.98 CHRM3 (0.96) CHRM3ADRB2CHRM2CHRM1CHRM5
Tolterodine SCHEMBL1989702 0.93 CHRM3 (0.88) CHRM3ADRB2CHRM2CHRM1CHRM5

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 31 patents — showing the first 20. 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 claimed
EP-1927585-B1 METHOD OF OBTAINING 3,3-DIPHENYLPROPYLAMINES INTERQUIM SA (ES) 2016-07-27 EP claimed
EP-1838659-B1 PROCESS FOR PREPARATION OF N,N-DIISOPROPYL-3-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROPYLAMINE LEK PHARMACEUTICALS (SI) 2015-07-15 EP claimed
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 claimed
US-20100234473-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES LEK PHARMACEUTICALS D.D. (SI) 2010-09-16 US claimed
EP-2044001-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES Lek Pharmaceuticals D.D. (SI) 2009-04-08 EP claimed
US-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine LEK PHARMACEUTICALS, D.D. (SI) 2008-02-21 US claimed
WO-2007147547-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES LEK PHARMACEUTICALS D.D. (SI) 2007-12-27 WO claimed
EP-1838659-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK Pharmaceuticals D.D. (SI) 2007-10-03 EP claimed
WO-2006066931-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK PHARMACEUTICALS D.D. (SI) 2006-06-29 WO claimed
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-1927585-B1 METHOD OF OBTAINING 3,3-DIPHENYLPROPYLAMINES INTERQUIM SA (ES) 2016-07-27 EP disclosed
EP-1838659-B1 PROCESS FOR PREPARATION OF N,N-DIISOPROPYL-3-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROPYLAMINE LEK PHARMACEUTICALS (SI) 2015-07-15 EP 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
US-20100234473-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES LEK PHARMACEUTICALS D.D. (SI) 2010-09-16 US disclosed
US-5382600-A 3,3-diphenylpropylamines and pharmaceutical compositions thereof PHARMACIA AKTIEBOLAG (SE) 1995-01-17 US disclosed
EP-0325571-B1 NEW AMINES, THEIR USE AND PREPARATION Kabi Pharmacia AB (SE) 1991-08-07 EP disclosed
EP-0354234-A1 NEW AMINES, THEIR USE AND PREPARATION KabiVitrum AB (SE) 1990-02-14 EP disclosed
WO-1989006644-A1 NEW AMINES, THEIR USE AND PREPARATION KABIVITRUM AB (SE) 1989-07-27 WO disclosed
EP-0325571-A1 New amines, their use and preparation Kabi Pharmacia AB (SE) 1989-07-26 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 (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-20100234473-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES PAH, ALK, ALKBH3 CHRM3 1118/4885CHRM2 1618/4885ADRB2 112/4885
US-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine SLC6A3, PNMT, PIR CHRM3 988/4885CHRM2 1306/4885ADRB2 114/4885

“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.