SCHEMBL1034495

SCHEMBL1034495

Cc1cccc(C=C2CCN(C(=O)Nc3onc(C)c3C)CC2C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
EDNRA P25101 1/20 0.37
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GFER P55789 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CASR P41180 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.33
AR P10275 1/20 0.33
MAPT P10636 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
SCHEMBL1034493 1.00 RAB9A (0.37) RAB9AEDNRAENPP2ALDH1A1GFER
SCHEMBL1031089 0.91 EDNRB (0.39) RAB9AEDNRAENPP2ALDH1A1SMN1; SMN2
SCHEMBL1031090 0.91 EDNRB (0.39) RAB9AEDNRAENPP2ALDH1A1SMN1; SMN2
SCHEMBL1036470 0.91 CYP3A4 (0.36) ENPP2ALDH1A1CASRTP53MAPT
SCHEMBL1036472 0.91 CYP3A4 (0.36) ENPP2ALDH1A1CASRTP53MAPT
SCHEMBL1033125 0.90 GSK3B (0.37) RAB9AENPP2ALDH1A1GFERGAA
SCHEMBL1033123 0.90 GSK3B (0.37) RAB9AENPP2ALDH1A1GFERGAA
SCHEMBL1031966 0.89 ENPP2 (0.39) RAB9AEDNRAENPP2MAPK1CASR
SCHEMBL1032721 0.89 ENPP2 (0.36) RAB9AEDNRAENPP2ALDH1A1CASR
SCHEMBL1031967 0.89 ENPP2 (0.39) RAB9AEDNRAENPP2MAPK1CASR

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-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
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 RAB9A 1238/4885EDNRA 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.