SCHEMBL1037084

SCHEMBL1037084

Cc1onc(NC(=O)N2CCC(=Cc3cccc(OCCCC(F)(F)F)c3)CC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.47
CYP3A4 P08684 4/20 0.47
FAAH O00519 10/20 0.44
GABRA1 P14867 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CNR2 P34972 1/20 0.44
HTR2B P41595 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
OGA O60502 2/20 0.39
CACNA1B Q00975 2/20 0.39
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1036484 0.90 CYP3A4 (0.44) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1036178 0.88 CYP3A4 (0.44) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037711 0.88 CYP3A4 (0.44) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1035666 0.88 FAAH (0.37) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1035664 0.88 FAAH (0.37) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037319 0.87 CYP2D6 (0.47) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1036355 0.87 CYP3A4 (0.43) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037447 0.87 CYP3A4 (0.46) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037454 0.86 CYP3A4 (0.45) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037435 0.86 CYP3A4 (0.42) CYP2D6CYP3A4FAAHGABRA1ADRA2C

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 CYP2D6 316/4885CYP3A4 524/4885FAAH 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.