SCHEMBL1037045

SCHEMBL1037045

CC1CN(C(=O)Nc2cnoc2)CC/C1=C\c1cccc(OCC2CCC(F)(F)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 4/20 0.36
PTPN1 P18031 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
OGA O60502 1/20 0.33
KDM1A O60341 2/20 0.32
ACACA Q13085 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
NAMPT P43490 1/20 0.32
CCR3 P51677 1/20 0.32
GPR119 Q8TDV5 1/20 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
SCHEMBL1037046 1.00 CYP3A4 (0.36) CYP3A4CYP2D6PTPN1FAAHGABRA1
SCHEMBL1037472 0.92 TLR4 (0.36) CYP3A4CYP2D6PTPN1FAAHGABRA1
SCHEMBL1037470 0.92 TLR4 (0.36) CYP3A4CYP2D6PTPN1FAAHGABRA1
SCHEMBL1076507 0.88 CYP3A4 (0.45) CYP3A4CYP2D6PTPN1FAAHGABRA1
SCHEMBL1077010 0.88 CYP3A4 (0.48) CYP3A4CYP2D6PTPN1FAAHGABRA1
SCHEMBL1077303 0.88 CYP3A4 (0.47) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1077305 0.88 CYP3A4 (0.47) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1077013 0.88 CYP3A4 (0.48) CYP3A4CYP2D6PTPN1FAAHGABRA1
SCHEMBL6525596 0.87 CYP3A4 (0.34) CYP3A4CYP2D6PTPN1FAAHGABRA1
SCHEMBL1076578 0.87 CYP3A4 (0.34) CYP3A4CYP2D6PTPN1FAAHGABRA1

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 CYP3A4 524/4885CYP2D6 316/4885PTPN1 3961/4885

“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.