SCHEMBL1038632

SCHEMBL1038632

COc1cccc(CCOc2cccc(C=C3CCN(C(=O)Nc4ccc(C)nc4)CC3C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
FAAH O00519 3/20 0.39
GRIN2B Q13224 2/20 0.39
CCR3 P51677 3/20 0.38
F10 P00742 2/20 0.38
OGA O60502 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1038631 1.00 CYP3A4 (0.47) CYP3A4CYP2D6ALDH1A1GAAMAPK1
SCHEMBL1035831 0.93 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGRIN2BF10
SCHEMBL1035832 0.93 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGRIN2BF10
SCHEMBL1074482 0.93 ALDH1A1 (0.46) CYP3A4CYP2D6ALDH1A1GAAMAPK1
SCHEMBL1074485 0.93 ALDH1A1 (0.46) CYP3A4CYP2D6ALDH1A1GAAMAPK1
SCHEMBL1035909 0.92 CYP3A4 (0.48) CYP3A4CYP2D6ALDH1A1FAAHCCR3
SCHEMBL1035911 0.92 CYP3A4 (0.48) CYP3A4CYP2D6ALDH1A1FAAHCCR3
SCHEMBL1077032 0.91 GRIN2B (0.46) CYP3A4CYP2D6FAAHGRIN2B
SCHEMBL1077031 0.91 GRIN2B (0.46) CYP3A4CYP2D6FAAHGRIN2B
SCHEMBL1038379 0.91 CYP3A4 (0.47) CYP3A4CYP2D6FAAHF10

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 382/4885ALDH1A1 586/4885

“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.