Sugi Predict

Sugi Predict / Compounds / SCHEMBL1034310

SCHEMBL1034310

SCHEMBL1034310

Cc1oncc1NC(=O)N1CCC(=Cc2cccc(OCCCC(F)(F)F)c2)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 7/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ FAAH O00519 3/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CACNA1B Q00975 2/20 0.37
▸ OGA O60502 2/20 0.34
▸ SLC5A1 P13866 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MOGAT2 Q3SYC2 1/20 0.32
▸ MAOB P27338 2/20 0.31

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
SCHEMBL1034308 1.00 CYP2D6 (0.38) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037546 0.91 TLR4 (0.36) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037547 0.91 TLR4 (0.36) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1036464 0.89 CYP3A4 (0.36) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1036466 0.89 CYP3A4 (0.36) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037125 0.89 GSK3B (0.37) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1037126 0.89 GSK3B (0.37) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1076069 0.89 GALR3 (0.36) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1076067 0.89 GALR3 (0.36) CYP2D6CYP3A4FAAHGABRA1ADRA2C
SCHEMBL1035851 0.88 CYP2D6 (0.49) CYP2D6CYP3A4FAAHGABRA1ADRA2C

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 CYP2D6 316/4885CYP3A4 524/4885FAAH 1/4885

“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.