SCHEMBL1036470

SCHEMBL1036470

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
ENPP2 Q13822 1/20 0.35
FAAH O00519 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
CASR P41180 1/20 0.33
HPGDS O60760 1/20 0.33
GRM5 P41594 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
SCD5 Q86SK9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
NPC1 O15118 1/20 0.32
CYP2C19 P33261 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL1036472 1.00 CYP3A4 (0.36) CYP3A4CYP1A2ENPP2FAAHTP53
SCHEMBL1034493 0.91 RAB9A (0.37) ENPP2TP53MAPTCASRALDH1A1
SCHEMBL1034495 0.91 RAB9A (0.37) ENPP2TP53MAPTCASRALDH1A1
SCHEMBL1031090 0.89 EDNRB (0.39) ENPP2MAPTLMNAKMT2AALDH1A1
SCHEMBL1031089 0.89 EDNRB (0.39) ENPP2MAPTLMNAKMT2AALDH1A1
SCHEMBL1033259 0.89 EDNRB (0.37) CYP3A4CYP1A2ENPP2FAAHMAPT
SCHEMBL1033260 0.89 EDNRB (0.37) CYP3A4CYP1A2ENPP2FAAHMAPT
SCHEMBL1032437 0.89 LMNA (0.40) CYP3A4FAAHMAPTLMNAKMT2A
SCHEMBL1032435 0.89 LMNA (0.40) CYP3A4FAAHMAPTLMNAKMT2A
SCHEMBL1033608 0.88 ENPP2 (0.34) ENPP2TP53MAPTCASRKMT2A

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 CYP3A4 288/4885CYP1A2 90/4885ENPP2 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.