SCHEMBL1036909

SCHEMBL1036909

CCCC(C)Oc1cccc(C=C2CCN(C(=O)Nc3cnoc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
OGA O60502 4/20 0.41
FAAH O00519 4/20 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
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
S1PR2 O95136 2/20 0.33
NAMPT P43490 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNK3 O14649 1/20 0.33

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
SCHEMBL1037376 0.89 CYP3A4 (0.45) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1033429 0.88 CYP3A4 (0.35) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1033427 0.88 CYP3A4 (0.35) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1035719 0.86 CYP3A4 (0.47) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1033159 0.86 CYP2D6 (0.48) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037730 0.85 CYP3A4 (0.60) CYP3A4CYP2D6FAAHGABRA1ADRA2C
SCHEMBL1078039 0.85 CYP3A4 (0.63) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1037508 0.84 CYP3A4 (0.43) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1036119 0.84 CYP3A4 (0.46) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1961265 0.83 CYP3A4 (0.57) CYP3A4CYP2D6OGAFAAHGABRA1

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 4 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
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.