SCHEMBL1032076

SCHEMBL1032076

Cc1oncc1NC(=O)N1CC/C(=C\c2cccc(OCCc3ccsc3)c2)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.34
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
GCK P35557 1/20 0.32
PTPN1 P18031 3/20 0.32
AKR1B1 P15121 2/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HPGD P15428 1/20 0.32
FAAH O00519 4/20 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
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL1032077 1.00 OGA (0.34) OGACYP3A4CYP2D6GCKPTPN1
SCHEMBL1037095 0.91 PTPN1 (0.39) OGACYP3A4CYP2D6PTPN1AKR1B1
SCHEMBL1037092 0.91 PTPN1 (0.39) OGACYP3A4CYP2D6PTPN1AKR1B1
SCHEMBL1035734 0.89 F10 (0.39) OGACYP3A4CYP2D6PTPN1FAAH
SCHEMBL1035732 0.89 F10 (0.39) OGACYP3A4CYP2D6PTPN1FAAH
SCHEMBL1036568 0.89 CYP3A4 (0.42) OGACYP3A4CYP2D6GCKPTPN1
SCHEMBL1035490 0.89 OGA (0.39) OGAFAAHSIGMAR1
SCHEMBL1035491 0.89 OGA (0.39) OGAFAAHSIGMAR1
SCHEMBL1034319 0.88 FAAH (0.37) OGACYP3A4CYP2D6GCKPTPN1
SCHEMBL1034320 0.88 FAAH (0.37) OGACYP3A4CYP2D6GCKPTPN1

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 OGA 1857/4885CYP3A4 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.