SCHEMBL3772856

SCHEMBL3772856

Cc1c(C)c(CO[SiH3])c(C)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.47
CHRM2 P08172 4/20 0.47
CHRM1 P11229 4/20 0.47
HRH1 P35367 4/20 0.47
HTR2A P28223 3/20 0.47
CHRM5 P08912 2/20 0.47
LMNA P02545 1/20 0.47
ESR1 P03372 1/20 0.47
CHRM4 P08173 1/20 0.47
MAPT P10636 1/20 0.47
KCNE1 P15382 1/20 0.47
PTGS1 P23219 1/20 0.47
HRH2 P25021 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNQ1 P51787 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47

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 0.82 CHRM2 (0.39) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL3772844 0.78 CHRM2 (0.44) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL724558 0.74 CHRM3 (0.63) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL724557 0.74 CHRM3 (0.63) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL5683634 0.73 CHRM2 (0.51) CHRM3CHRM2CHRM1HRH1HTR2A
Diisopromine SCHEMBL25648 0.71 HRH1 (0.63) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL6757073 0.71 CHRM3 (0.55) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL14988049 0.70 CHRM3 (0.58) CHRM3CHRM2CHRM1HRH1HTR2A
SCHEMBL3770623 0.70 CHRM3 (0.54) CHRM3CHRM2CHRM1HRH1HTR2A
Diisopromine SCHEMBL11582569 0.69 HRH1 (0.61) CHRM3CHRM2CHRM1HRH1HTR2A

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 4 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
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 CHRM3 41/4885CHRM2 140/4885CHRM1 263/4885
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 CHRM3 70/4885CHRM2 136/4885CHRM1 227/4885

“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.