SCHEMBL1031089

SCHEMBL1031089

Cc1noc(NC(=O)N2CC/C(=C\c3cccc(Cl)c3)C(C)C2)c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
ENPP2 Q13822 2/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
P2RY1 P47900 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 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
SCHEMBL1031090 1.00 EDNRB (0.39) EDNRBEDNRAENPP2KMT2AMEN1
SCHEMBL1034493 0.91 RAB9A (0.37) EDNRAENPP2RAB9AALDH1A1SMN1; SMN2
SCHEMBL1034495 0.91 RAB9A (0.37) EDNRAENPP2RAB9AALDH1A1SMN1; SMN2
SCHEMBL1036470 0.89 CYP3A4 (0.36) ENPP2KMT2ANPC1ALDH1A1MAPT
SCHEMBL1036472 0.89 CYP3A4 (0.36) ENPP2KMT2ANPC1ALDH1A1MAPT
SCHEMBL1036172 0.89 ENPP2 (0.38) EDNRBEDNRAENPP2NPC1RAB9A
SCHEMBL1036174 0.89 ENPP2 (0.38) EDNRBEDNRAENPP2NPC1RAB9A
SCHEMBL1033287 0.88 MAPT (0.38) EDNRBEDNRAENPP2KMT2AMEN1
SCHEMBL1036456 0.88 ENPP2 (0.34) EDNRBEDNRAENPP2P2RY1
SCHEMBL1036457 0.88 ENPP2 (0.34) EDNRBEDNRAENPP2P2RY1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2276734-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127946-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE 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-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 EDNRB 2169/4885EDNRA 2234/4885ENPP2 43/4885

“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.