SCHEMBL5894572

SCHEMBL5894572

COc1c(F)c(F)c(C)c(F)c1C(CCN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
HTR2A P28223 3/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
ESR1 P03372 1/20 0.43
CHRM4 P08173 1/20 0.43
KCNE1 P15382 1/20 0.43
PTGS1 P23219 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNQ1 P51787 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43

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
SCHEMBL5683634 0.82 CHRM2 (0.51) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL5894860 0.77 KCNA5 (0.39) LMNAHTTKMT2AKDM4EPOLB
Diisopromine SCHEMBL25648 0.72 HRH1 (0.63) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL6757073 0.72 CHRM3 (0.55) HRH1CHRM2CHRM1HTR2ACHRM5
Diisopromine SCHEMBL11582569 0.71 HRH1 (0.61) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL724557 0.70 CHRM3 (0.63) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL724558 0.70 CHRM3 (0.63) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL8858816 0.70 CHRM2 (0.55) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL9225714 0.69 CHRM2 (0.47) HRH1CHRM2CHRM1HTR2ACHRM5
SCHEMBL3772844 0.68 CHRM2 (0.44) HRH1CHRM2CHRM1HTR2ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119121-B2 3,3-diphenylpropylamines useful in therapy PFIZER INC. (US) 2006-10-10 US disclosed
US-20060004106-A1 Novel 3,3-diphenylpropylamines useful in therapy PFIZER INC 2006-01-05 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 (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-20060004106-A1 Novel 3,3-diphenylpropylamines useful in therapy QDPR, HRH3, SLC7A1 HRH1 86/4885CHRM2 115/4885CHRM1 181/4885

“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.