SCHEMBL1034445

SCHEMBL1034445

Cc1cc(Cl)cc(C=C2CCN(C(=O)Nc3cccnn3)CC2C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 19/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GABRA1 P14867 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR1 P21554 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CNR2 P34972 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FFAR2 O15552 1/20 0.35

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
SCHEMBL1034443 1.00 FAAH (0.41) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1035905 0.90 FAAH (0.43) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1035904 0.90 FAAH (0.43) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1034223 0.89 FAAH (0.44) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1034222 0.89 FAAH (0.44) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1033341 0.89 FAAH (0.44) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1033339 0.89 FAAH (0.44) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1033666 0.88 FAAH (0.45) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1033668 0.88 FAAH (0.45) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1034668 0.88 FAAH (0.45) FAAHCYP3A4CYP2D6GABRA1ADRA2C

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 FAAH 1/4885CYP3A4 288/4885CYP2D6 241/4885

“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.