SCHEMBL1032373

SCHEMBL1032373

Cc1onc(NC(=O)N2CCC(=Cc3cccc(OCCc4cccnc4)c3)C(C)C2)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
EPHX2 P34913 1/20 0.35
FAAH O00519 12/20 0.35
JAK1 P23458 1/20 0.34
GABRA1 P14867 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPR132 Q9UNW8 1/20 0.33

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
SCHEMBL1032371 1.00 CYP3A4 (0.37) CYP3A4CYP2D6EPHX2FAAHJAK1
SCHEMBL1035324 0.92 PTPN1 (0.38) FAAH
SCHEMBL1035322 0.92 PTPN1 (0.38) FAAH
SCHEMBL1036122 0.90 FAAH (0.38) FAAHSIGMAR1
SCHEMBL1036124 0.90 FAAH (0.38) FAAHSIGMAR1
SCHEMBL1033507 0.90 FAAH (0.42) CYP3A4CYP2D6FAAH
SCHEMBL1033506 0.90 FAAH (0.42) CYP3A4CYP2D6FAAH
SCHEMBL1033531 0.89 FAAH (0.40) CYP3A4CYP2D6EPHX2FAAH
SCHEMBL1033530 0.89 FAAH (0.40) CYP3A4CYP2D6EPHX2FAAH
SCHEMBL1036425 0.89 CYP3A4 (0.37) CYP3A4CYP2D6EPHX2FAAHJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US claimed
EP-2276738-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127943-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed
US-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
EP-2276738-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127943-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 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 (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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 CYP3A4 524/4885CYP2D6 316/4885EPHX2 87/4885

“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.