SCHEMBL3547237

SCHEMBL3547237

FC(F)(F)c1ccc(C(=C2CCNCC2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.52
OPRM1 P35372 11/20 0.52
OPRK1 P41145 5/20 0.52
HTR2C P28335 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ABCB11 O95342 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOB P27338 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL3663243 0.93 OPRD1 (0.54) OPRD1OPRM1OPRK1HTR2CCES2
SCHEMBL4919620 0.82 OPRD1 (0.79) OPRD1OPRM1OPRK1ABCB11KCNH2
SCHEMBL10461671 0.79 OPRM1 (0.67) OPRD1OPRM1OPRK1HTR2CCES2
SCHEMBL2539292 0.79 OPRD1 (0.65) OPRD1OPRM1OPRK1HTR2CCES2
Bromide SCHEMBL7444095 0.77 OPRD1 (0.63) OPRD1OPRM1OPRK1HTR2CCES2
Hydrochloric Acid SCHEMBL2310717 0.77 OPRD1 (0.63) OPRD1OPRM1OPRK1CES2CES1
SCHEMBL23848519 0.75 CYP1A1 (0.41) OPRD1OPRM1OPRK1CES2CES1
SCHEMBL3662531 0.75 CYP1A1 (0.41) OPRD1OPRM1OPRK1CES2CES1
SCHEMBL3662534 0.75 CYP1A1 (0.41) OPRD1OPRM1OPRK1CES2CES1
SCHEMBL8314826 0.75 OPRD1 (0.50) OPRD1OPRM1OPRK1ABCB11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553107-B1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARM INC (US) 1999-09-29 EP claimed
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
US-7300946-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2007-11-27 US disclosed
EP-1572207-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORP (US) 2006-11-29 EP disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 US disclosed
EP-1572207-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2005-09-14 EP disclosed
WO-2004060371-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2004-07-22 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 (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-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR OPRD1 67/4885OPRM1 96/4885OPRK1 794/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR OPRD1 55/4885OPRM1 111/4885OPRK1 862/4885

“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.