SCHEMBL1036411

SCHEMBL1036411

Cc1onc(NC(=O)N2CC/C(=C\c3cccc(OCC4CCC(F)(F)CC4)c3)C(C)C2)c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
GABRA1 P14867 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CNR2 P34972 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL1036413 1.00 FAAH (0.35) FAAHCYP3A4CYP2D6TLR4TLR2
SCHEMBL1037316 0.92 TLR4 (0.38) FAAHCYP3A4CYP2D6TLR4TLR2
SCHEMBL1037315 0.92 TLR4 (0.38) FAAHCYP3A4CYP2D6TLR4TLR2
SCHEMBL1037462 0.89 CYP3A4 (0.42) FAAHCYP3A4CYP2D6TLR4TLR2
SCHEMBL6518264 0.89 CYP3A4 (0.33) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL6518270 0.89 CYP3A4 (0.33) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1076580 0.88 CYP3A4 (0.34) FAAHCYP3A4CYP2D6TLR4TLR2
SCHEMBL1076578 0.88 CYP3A4 (0.34) FAAHCYP3A4CYP2D6TLR4TLR2
SCHEMBL1033192 0.87 FAAH (0.33) FAAHCYP3A4CYP2D6
SCHEMBL1033194 0.87 FAAH (0.33) FAAHCYP3A4CYP2D6

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 4 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
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 FAAH 1/4885CYP3A4 524/4885CYP2D6 316/4885

“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.