SCHEMBL1961574

SCHEMBL1961574

COc1cnc(NC(=O)N2CCC(=Cc3cccc(OCC(C)CC(F)(F)F)c3)C(C)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 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
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
OGA O60502 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1961573 1.00 FAAH (0.41) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1082433 0.90 CYP3A4 (0.47) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1082431 0.90 CYP3A4 (0.47) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1036487 0.88 CYP3A4 (0.53) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1034934 0.88 FAAH (0.43) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1034933 0.88 FAAH (0.43) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1075979 0.87 FAAH (0.50) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1075978 0.87 FAAH (0.50) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1040209 0.87 FAAH (0.40) FAAHCYP3A4CYP2D6HTR2AHTR2C
SCHEMBL1040207 0.87 FAAH (0.40) FAAHCYP3A4CYP2D6HTR2AHTR2C

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 1 patent. 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

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.