SCHEMBL3772844

SCHEMBL3772844

Cc1c(C)c(O[SiH3])c(C(CCN(C(C)C)C(C)C)c2ccccc2)c(C)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRM3 P20309 4/20 0.44
HRH1 P35367 3/20 0.44
CHRM5 P08912 2/20 0.44
HTR2A P28223 2/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
CHRM4 P08173 1/20 0.44
MAPT P10636 1/20 0.44
KCNE1 P15382 1/20 0.44
PTGS1 P23219 1/20 0.44
HRH2 P25021 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL3780027 0.79 CHRM2 (0.39) CHRM2CHRM1CHRM3HRH1CHRM5
SCHEMBL3772856 0.78 CHRM3 (0.47) CHRM2CHRM1CHRM3HRH1CHRM5
SCHEMBL1496992 0.73 CHRM3 (0.56) CHRM2CHRM1CHRM3HRH1CHRM5
SCHEMBL724558 0.71 CHRM3 (0.63) CHRM2CHRM1CHRM3HRH1CHRM5
SCHEMBL724557 0.71 CHRM3 (0.63) CHRM2CHRM1CHRM3HRH1CHRM5
Diisopromine SCHEMBL25648 0.70 HRH1 (0.63) CHRM2CHRM1CHRM3HRH1CHRM5
Diisopromine SCHEMBL11582569 0.69 HRH1 (0.61) CHRM2CHRM1CHRM3HRH1CHRM5
SCHEMBL12986836 0.68 CHRM3 (0.52) CHRM2CHRM1CHRM3HRH1CHRM5
SCHEMBL6757073 0.68 CHRM3 (0.55) CHRM2CHRM1CHRM3HRH1CHRM5
SCHEMBL5894572 0.68 HRH1 (0.43) CHRM2CHRM1CHRM3HRH1CHRM5

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
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 US disclosed
US-7855230-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2010-12-21 US disclosed
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 US disclosed
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO 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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 CHRM2 140/4885CHRM1 263/4885CHRM3 41/4885

“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.