SCHEMBL1038504

SCHEMBL1038504

COc1cnc(NC(=O)N2CC/C(=C\c3cccc(Oc4ccc(C)cn4)c3)C(C)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
GABRA1 P14867 1/20 0.48
ADRA2C P18825 1/20 0.48
CNR1 P21554 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
CNR2 P34972 1/20 0.48
HTR2B P41595 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
GPR119 Q8TDV5 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
SCHEMBL1038506 1.00 FAAH (0.48) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1037311 0.94 CYP3A4 (0.50) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1037309 0.94 CYP3A4 (0.50) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1037633 0.92 FAAH (0.51) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1039576 0.92 FAAH (0.43) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1037635 0.92 FAAH (0.51) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1039577 0.92 FAAH (0.43) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1037810 0.92 FAAH (0.47) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1037808 0.92 FAAH (0.47) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1034723 0.92 FAAH (0.47) FAAHCYP3A4CYP2D6GABRA1ADRA2C

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-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US claimed
EP-2276737-A1 4- [3- (ARYLOXY) BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127949-A1 4- [3- (ARYLOXY) BENZYLIDENE] -3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed
US-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
EP-2276737-A1 4- [3- (ARYLOXY) BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127949-A1 4- [3- (ARYLOXY) BENZYLIDENE] -3-METHYL PIPERIDINE 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-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885CYP3A4 530/4885CYP2D6 385/4885

“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.