SCHEMBL1038258

SCHEMBL1038258

CC1CN(C(=O)Nc2cccnn2)CCC1=Cc1cccc(OCC2CC=CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 18/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
GABRA1 P14867 2/20 0.45
ADRA2C P18825 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL1038257 1.00 FAAH (0.45) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1040174 0.90 FAAH (0.48) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1040175 0.90 FAAH (0.48) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1039261 0.88 FAAH (0.57) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1962114 0.88 CYP3A4 (0.46) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1962116 0.88 CYP3A4 (0.46) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1038291 0.87 FAAH (0.37) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1038292 0.87 FAAH (0.37) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1082567 0.87 CYP3A4 (0.47) FAAHCYP3A4CYP2D6GABRA1ADRA2C
SCHEMBL1082564 0.87 CYP3A4 (0.47) FAAHCYP3A4CYP2D6GABRA1ADRA2C

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 FAAH 1/4885CYP3A4 329/4885CYP2D6 382/4885

“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.