SCHEMBL1037043

SCHEMBL1037043

CC(C)CCOc1cccc(C=C2CCN(C(=O)Nc3cnoc3)CC2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
NR1H4 Q96RI1 2/20 0.36
OGA O60502 1/20 0.35
FAAH O00519 6/20 0.35
SLC5A1 P13866 1/20 0.35
GABRA1 P14867 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 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
SCHEMBL1037041 1.00 GALR3 (0.38) GALR3HSP90AA1CYP3A4CYP2D6NR1H4
SCHEMBL1033614 0.92 CYP3A4 (0.36) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1033612 0.92 CYP3A4 (0.36) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1035611 0.91 FAAH (0.38) CYP3A4CYP2D6NR1H4OGAFAAH
SCHEMBL1035612 0.91 FAAH (0.38) CYP3A4CYP2D6NR1H4OGAFAAH
SCHEMBL1037382 0.91 MAPT (0.38) CYP3A4CYP2D6OGAFAAHMAPT
SCHEMBL1037381 0.91 MAPT (0.38) CYP3A4CYP2D6OGAFAAHMAPT
SCHEMBL1035341 0.90 CYP3A4 (0.38) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1035342 0.90 CYP3A4 (0.38) CYP3A4CYP2D6OGAFAAHGABRA1
SCHEMBL1033419 0.89 FAAH (0.40) CYP3A4CYP2D6OGAFAAH

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 GALR3 761/4885HSP90AA1 1659/4885CYP3A4 524/4885

“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.