SCHEMBL1076162

SCHEMBL1076162

CC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(OCCCC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 4/20 0.52
FAAH O00519 8/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
EPHX2 P34913 1/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
GABRA1 P14867 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1076160 1.00 CYP3A4 (0.52) CYP3A4CYP2D6FAAHCACNA1GCACNA1H
SCHEMBL1076479 0.91 CYP2D6 (0.54) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1076482 0.91 CYP2D6 (0.54) CYP3A4CYP2D6FAAHHTR2AHTR2C
SCHEMBL1076692 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHEPHX2GRIN2B
SCHEMBL1076694 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHEPHX2GRIN2B
SCHEMBL1077927 0.89 CYP3A4 (0.50) CYP3A4CYP2D6FAAHEPHX2HTR2A
SCHEMBL1077928 0.89 CYP3A4 (0.50) CYP3A4CYP2D6FAAHEPHX2HTR2A
SCHEMBL1075908 0.88 CYP3A4 (0.49) CYP3A4CYP2D6FAAHCACNA1GCACNA1H
SCHEMBL1035939 0.88 CYP3A4 (0.49) CYP3A4CYP2D6FAAHCACNA1GCACNA1H
SCHEMBL1035938 0.88 CYP3A4 (0.49) CYP3A4CYP2D6FAAHCACNA1GCACNA1H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC 2011-06-16 US disclosed
EP-2276735-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127944-A1 ETHER BENZYLIDENE PIPERIDINE 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-20110144159-A1 ETHER BENZYLIDENE PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, PAH CYP3A4 329/4885CYP2D6 382/4885FAAH 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.