SCHEMBL1961713

SCHEMBL1961713

CC(COc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2C)c1)CC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 4/20 0.51
FAAH O00519 10/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
HTR2C P28335 5/20 0.39
HTR2A P28223 4/20 0.39
HTR2B P41595 2/20 0.39
GABRA1 P14867 1/20 0.39
ADRA2C P18825 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GRIN2B Q13224 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
SCHEMBL1961711 1.00 CYP3A4 (0.51) CYP3A4CYP2D6FAAHCACNA1GCACNA1H
SCHEMBL1040500 0.91 CYP3A4 (0.52) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1040501 0.91 CYP3A4 (0.52) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1082431 0.89 CYP3A4 (0.47) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1082433 0.89 CYP3A4 (0.47) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1075978 0.88 FAAH (0.50) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1075979 0.88 FAAH (0.50) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1038509 0.88 CYP3A4 (0.65) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1035646 0.88 CYP3A4 (0.39) CYP3A4CYP2D6FAAHHTR2CHTR2A
SCHEMBL1035645 0.88 CYP3A4 (0.39) CYP3A4CYP2D6FAAHHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC 2011-06-16 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-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, PAH CYP3A4 329/4885CYP2D6 382/4885FAAH 1/4885

“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.