SCHEMBL1034945

SCHEMBL1034945

Cc1cncc(NC(=O)N2CC/C(=C\c3cccc(Oc4ncc(C(F)(F)F)cn4)c3)C(C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 4/20 0.51
FAAH O00519 11/20 0.46
GABRA1 P14867 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CNR2 P34972 1/20 0.46
HTR2B P41595 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
EGFR P00533 3/20 0.43
BTK Q06187 3/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1034946 1.00 CYP3A4 (0.51) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1039591 0.92 CYP3A4 (0.42) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1039596 0.92 CYP3A4 (0.42) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1036382 0.91 CYP3A4 (0.63) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1036380 0.91 CYP3A4 (0.63) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037478 0.90 CYP3A4 (0.63) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037477 0.90 CYP3A4 (0.63) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037856 0.90 CYP3A4 (0.41) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037512 0.90 EGFR (0.41) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1037510 0.90 EGFR (0.41) CYP3A4CYP2D6FAAHGABRA1ADRA2C

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 CYP3A4 530/4885CYP2D6 385/4885FAAH 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.