SCHEMBL1035732

SCHEMBL1035732

Cc1oncc1NC(=O)N1CC/C(=C\c2cccc(OCCc3ccc(F)cc3)c2)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CCR3 P51677 8/20 0.36
ALDH1A1 P00352 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PTPN1 P18031 1/20 0.35
EPHX2 P34913 1/20 0.34
FAAH O00519 2/20 0.34
GABRA1 P14867 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
OGA O60502 1/20 0.34

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
SCHEMBL1035734 1.00 F10 (0.39) F10CYP3A4CYP2D6CCR3ALDH1A1
SCHEMBL1036404 0.94 F10 (0.40) F10CYP3A4CYP2D6SIRT2FAAH
SCHEMBL1036405 0.94 F10 (0.40) F10CYP3A4CYP2D6SIRT2FAAH
SCHEMBL1037092 0.94 PTPN1 (0.39) CYP3A4CYP2D6PTPN1FAAHOGA
SCHEMBL1037095 0.94 PTPN1 (0.39) CYP3A4CYP2D6PTPN1FAAHOGA
SCHEMBL1035490 0.91 OGA (0.39) CCR3ALDH1A1FAAHSIGMAR1OGA
SCHEMBL1035491 0.91 OGA (0.39) CCR3ALDH1A1FAAHSIGMAR1OGA
SCHEMBL1036400 0.90 CYP3A4 (0.38) CYP3A4CYP2D6ALDH1A1EPHX2FAAH
SCHEMBL1036398 0.90 CYP3A4 (0.38) CYP3A4CYP2D6ALDH1A1EPHX2FAAH
SCHEMBL1032076 0.89 OGA (0.34) CYP3A4CYP2D6PTPN1FAAHGABRA1

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-20110053982-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US claimed
EP-2276738-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127943-A1 ETHER BENZYLIDENE PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO 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 F10 2079/4885CYP3A4 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.