SCHEMBL1037333

SCHEMBL1037333

Cc1noc(NC(=O)N2CCC(=Cc3cccc(CC(F)(F)F)c3)C(C)C2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.37
OGA O60502 2/20 0.32
CASR P41180 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC5A1 P13866 1/20 0.32
CRHR1 P34998 1/20 0.32
FLT1 P17948 2/20 0.31
KDR P35968 1/20 0.31
FAAH O00519 2/20 0.30
GABRA1 P14867 1/20 0.30
ADRA2C P18825 1/20 0.30
CNR1 P21554 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
CNR2 P34972 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1037331 1.00 ENPP2 (0.37) ENPP2OGACASRCYP3A4CYP2D6
SCHEMBL1031966 0.90 ENPP2 (0.39) ENPP2OGACASRLMNA
SCHEMBL1031967 0.90 ENPP2 (0.39) ENPP2OGACASRLMNA
SCHEMBL1032435 0.88 LMNA (0.40) CYP3A4CYP2D6CRHR1FLT1KDR
SCHEMBL1032437 0.88 LMNA (0.40) CYP3A4CYP2D6CRHR1FLT1KDR
SCHEMBL1032665 0.87 FAAH (0.38) OGACYP3A4CYP2D6FAAHGABRA1
SCHEMBL1032666 0.87 FAAH (0.38) OGACYP3A4CYP2D6FAAHGABRA1
SCHEMBL1074891 0.87 LMNA (0.34) ENPP2CASRCYP3A4CYP2D6CRHR1
SCHEMBL1074887 0.87 LMNA (0.34) ENPP2CASRCYP3A4CYP2D6CRHR1
SCHEMBL1036472 0.87 CYP3A4 (0.36) ENPP2CASRCYP3A4CYP2D6FAAH

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-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER, INC. 2011-03-03 US claimed
EP-2276734-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127946-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed
US-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER, INC. 2011-03-03 US 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-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 ENPP2 43/4885OGA 1686/4885CASR 3781/4885

“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.