SCHEMBL579695

SCHEMBL579695

Cc1ccc(O)c([C@@H](CCNC(C)C)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.64
CHRM1 P11229 3/20 0.64
HRH1 P35367 3/20 0.64
LMNA P02545 3/20 0.64
SLC6A4 P31645 3/20 0.64
ADRA1A P35348 3/20 0.64
KCNH2 Q12809 3/20 0.64
CHRM5 P08912 2/20 0.64
CHRM3 P20309 2/20 0.64
MAPT P10636 2/20 0.64
HTR2A P28223 2/20 0.64
OPRK1 P41145 2/20 0.64
CACNA1C Q13936 2/20 0.64
SCN5A Q14524 2/20 0.64
ESR1 P03372 1/20 0.64
CHRM4 P08173 1/20 0.64
KCNE1 P15382 1/20 0.64
PTGS1 P23219 1/20 0.64
HRH2 P25021 1/20 0.64
KCNQ1 P51787 1/20 0.64

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
SCHEMBL560996 1.00 CHRM2 (0.64) CHRM2CHRM1HRH1LMNASLC6A4
SCHEMBL579694 1.00 CHRM2 (0.64) CHRM2CHRM1HRH1LMNASLC6A4
SCHEMBL5098280 0.89 LMNA (0.61) CHRM2CHRM1HRH1LMNASLC6A4
Bromide SCHEMBL5676142 0.88 LMNA (0.60) CHRM2CHRM1HRH1LMNASLC6A4
SCHEMBL579977 0.86 LMNA (0.47) CHRM2CHRM1HRH1LMNASLC6A4
SCHEMBL579985 0.86 LMNA (0.47) CHRM2CHRM1HRH1LMNASLC6A4
SCHEMBL580461 0.86 LMNA (0.47) CHRM2CHRM1HRH1LMNASLC6A4
SCHEMBL3105500 0.86 SLC6A4 (0.63) CHRM2CHRM1HRH1LMNASLC6A4
SCHEMBL3105509 0.86 SLC6A4 (0.63) CHRM2CHRM1HRH1LMNASLC6A4
Hydrochloric Acid SCHEMBL5199828 0.85 CYP3A4 (0.48) CHRM2CHRM1HRH1LMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434574-A2 TOLTERODINE METABOLITES Bridge Pharma, Inc. (US) 2004-07-07 EP claimed
US-20030027856-A1 Tolterodine metabolites BRIDGE PHARMA, INC. 2003-02-06 US claimed
WO-2003002059-A2 TOLTERODINE METABOLITES BRIDGE PHARMA, INC. (US) 2003-01-09 WO claimed
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 CHRM2 22/4885CHRM1 39/4885HRH1 589/4885
US-20030027856-A1 Tolterodine metabolites COMT, ADRB3, THOP1 CHRM2 42/4885CHRM1 90/4885HRH1 166/4885

“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.