SCHEMBL1036437

SCHEMBL1036437

Cc1noc(NC(=O)N2CCC(=Cc3cccc(OCC4CC=CCC4)c3)C(C)C2)c1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
POLB P06746 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
OGA O60502 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FAAH O00519 1/20 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
PKM P14618 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
SCHEMBL1036435 1.00 ENPP2 (0.32) ENPP2POLBCYP3A4CYP2D6OGA
SCHEMBL1033393 0.91 TLR4 (0.36) ENPP2POLBCYP3A4CYP2D6OGA
SCHEMBL1033394 0.91 TLR4 (0.36) ENPP2POLBCYP3A4CYP2D6OGA
SCHEMBL1033156 0.89 CYP3A4 (0.40) ENPP2POLBCYP3A4CYP2D6OGA
SCHEMBL1033194 0.89 FAAH (0.33) CYP3A4CYP2D6OGAKMT2AFAAH
SCHEMBL1033192 0.89 FAAH (0.33) CYP3A4CYP2D6OGAKMT2AFAAH
SCHEMBL6518270 0.87 CYP3A4 (0.33) ENPP2POLBCYP3A4CYP2D6OGA
SCHEMBL6518264 0.87 CYP3A4 (0.33) ENPP2POLBCYP3A4CYP2D6OGA
SCHEMBL1036890 0.86 CYP3A4 (0.33) POLBCYP3A4CYP2D6OGAFAAH
SCHEMBL1036891 0.86 CYP3A4 (0.33) POLBCYP3A4CYP2D6OGAFAAH

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 ENPP2 59/4885POLB 4294/4885CYP3A4 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.