SCHEMBL1036375

SCHEMBL1036375

Cc1cccc(OCCOc2cccc(C=C3CCN(C(=O)Nc4onc(C)c4C)CC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 5/20 0.44
OGA O60502 2/20 0.41
FAAH O00519 1/20 0.41
GABRA1 P14867 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CNR2 P34972 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GSK3B P49841 1/20 0.40
MAPT P10636 4/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL1036377 0.91 CYP2D6 (0.44) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1036391 0.91 CYP3A4 (0.42) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1036106 0.90 CYP3A4 (0.43) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1036041 0.89 CYP3A4 (0.44) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1035398 0.89 CYP3A4 (0.42) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037319 0.88 CYP2D6 (0.47) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037467 0.88 CYP3A4 (0.45) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037290 0.87 OGA (0.45) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1033123 0.87 GSK3B (0.37) CYP3A4CYP2D6OGAGSK3BMAPT
SCHEMBL1033125 0.87 GSK3B (0.37) CYP3A4CYP2D6OGAGSK3BMAPT

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 316/4885OGA 1857/4885

“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.