SCHEMBL1035681

SCHEMBL1035681

COc1cnc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccccc4)c3)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 4/20 0.50
FAAH O00519 8/20 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
OGA O60502 1/20 0.43
PTPN1 P18031 4/20 0.41
AKR1B1 P15121 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PTPN2 P17706 1/20 0.39
ACP1 P24666 1/20 0.39
ADAM17 P78536 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1077749 0.94 CYP3A4 (0.51) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1040651 0.94 CYP3A4 (0.51) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1081282 0.92 CYP3A4 (0.53) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1039504 0.92 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1078147 0.90 CYP3A4 (0.47) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1035680 0.89 CYP2D6 (0.52) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1038809 0.89 CYP3A4 (0.57) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1040390 0.88 CYP3A4 (0.51) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1040050 0.88 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1040381 0.88 CYP3A4 (0.51) 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 3 patents. 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
EP-2276735-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127944-A1 ETHER BENZYLIDENE 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-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.