Sugi Predict

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SCHEMBL1036404

SCHEMBL1036404

Cc1oncc1NC(=O)N1CC/C(=C\c2cccc(OCCc3cccc(F)c3)c2)C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PPARA Q07869 5/20 0.33
▸ SLC26A4 O43511 1/20 0.33

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
SCHEMBL1036405 1.00 F10 (0.40) F10SIRT2S1PR1S1PR3CYP3A4
SCHEMBL1035732 0.94 F10 (0.39) F10SIRT2CYP3A4CYP2D6FAAH
SCHEMBL1035734 0.94 F10 (0.39) F10SIRT2CYP3A4CYP2D6FAAH
SCHEMBL1037092 0.93 PTPN1 (0.39) CYP3A4CYP2D6FAAHPPARAOGA
SCHEMBL1037095 0.93 PTPN1 (0.39) CYP3A4CYP2D6FAAHPPARAOGA
SCHEMBL1035490 0.92 OGA (0.39) KMT2AFAAHSIGMAR1OGA
SCHEMBL1035491 0.92 OGA (0.39) KMT2AFAAHSIGMAR1OGA
SCHEMBL1036398 0.90 CYP3A4 (0.38) CYP3A4CYP2D6KMT2AFAAHGABRA1
SCHEMBL1036400 0.90 CYP3A4 (0.38) CYP3A4CYP2D6KMT2AFAAHGABRA1
SCHEMBL1036881 0.89 CYP3A4 (0.44) F10SIRT2CYP3A4CYP2D6FAAH

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 2079/4885SIRT2 320/4885S1PR1 291/4885

“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.