SCHEMBL1075908

SCHEMBL1075908

CC(C)CCOc1cccc(C=C2CCN(C(=O)Nc3cccnc3)CC2C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
FAAH O00519 11/20 0.46
GRIN2B Q13224 1/20 0.42
GALR3 O60755 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.41
CACNA1G O43497 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 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
SCHEMBL1075906 1.00 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGRIN2BGALR3
SCHEMBL1037354 0.92 CYP3A4 (0.48) CYP3A4CYP2D6FAAHGRIN2BTSHR
SCHEMBL1037355 0.92 CYP3A4 (0.48) CYP3A4CYP2D6FAAHGRIN2BTSHR
SCHEMBL1076694 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGRIN2BTSHR
SCHEMBL1076692 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGRIN2BTSHR
SCHEMBL1035939 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGRIN2BTSHR
SCHEMBL1076091 0.91 CYP3A4 (0.50) CYP3A4CYP2D6FAAHGALR3HSP90AA1
SCHEMBL1076089 0.91 CYP3A4 (0.50) CYP3A4CYP2D6FAAHGALR3HSP90AA1
SCHEMBL1035938 0.91 CYP3A4 (0.49) CYP3A4CYP2D6FAAHGRIN2BTSHR
SCHEMBL1038546 0.90 CYP3A4 (0.48) CYP3A4CYP2D6FAAHGRIN2BTSHR

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.