SCHEMBL1035481

SCHEMBL1035481

Cc1onc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
OGA O60502 4/20 0.39
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
HPGD P15428 1/20 0.34
AKR1B1 P15121 1/20 0.34
PTPN1 P18031 1/20 0.34
GPR55 Q9Y2T6 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
SCHEMBL1036491 0.90 CYP3A4 (0.42) FAAHCYP3A4CYP2D6OGAGABRA1
SCHEMBL1033137 0.89 CYP3A4 (0.41) FAAHCYP3A4CYP2D6OGAGABRA1
SCHEMBL1034320 0.89 FAAH (0.37) FAAHCYP3A4CYP2D6OGAHPGD
SCHEMBL1034319 0.89 FAAH (0.37) FAAHCYP3A4CYP2D6OGAHPGD
SCHEMBL1037454 0.88 CYP3A4 (0.45) FAAHCYP3A4CYP2D6OGAGABRA1
SCHEMBL1037929 0.88 OGA (0.45) FAAHCYP3A4CYP2D6OGAGABRA1
SCHEMBL1037030 0.87 FAAH (0.47) FAAHCYP3A4CYP2D6OGAGABRA1
SCHEMBL1036568 0.86 CYP3A4 (0.42) FAAHCYP3A4CYP2D6OGAGABRA1
SCHEMBL1034279 0.86 CYP3A4 (0.47) FAAHCYP3A4CYP2D6OGAGABRA1
SCHEMBL1036178 0.86 CYP3A4 (0.44) FAAHCYP3A4CYP2D6OGAGABRA1

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 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.