SCHEMBL1035322

SCHEMBL1035322

Cc1onc(NC(=O)N2CC/C(=C\c3cccc(OCCc4ccccc4)c3)C(C)C2)c1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.38
AKR1B1 P15121 2/20 0.38
GPR55 Q9Y2T6 2/20 0.38
FAAH O00519 11/20 0.37
PTPN2 P17706 1/20 0.36
ACP1 P24666 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
GPR18 Q14330 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
SCHEMBL1035324 1.00 PTPN1 (0.38) PTPN1AKR1B1GPR55FAAHPTPN2
SCHEMBL1033530 0.94 FAAH (0.40) PTPN1FAAH
SCHEMBL1033531 0.94 FAAH (0.40) PTPN1FAAH
SCHEMBL1036124 0.94 FAAH (0.38) FAAH
SCHEMBL1036122 0.94 FAAH (0.38) FAAH
SCHEMBL1033506 0.93 FAAH (0.42) FAAHPPARGPPARA
SCHEMBL1033507 0.93 FAAH (0.42) FAAHPPARGPPARA
SCHEMBL1032371 0.92 CYP3A4 (0.37) FAAH
SCHEMBL1032373 0.92 CYP3A4 (0.37) FAAH
SCHEMBL1034320 0.91 FAAH (0.37) PTPN1AKR1B1GPR55FAAH

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 PTPN1 3961/4885AKR1B1 581/4885GPR55 65/4885

“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.