SCHEMBL864174

SCHEMBL864174

N#CC(O)CCCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.52
TRPA1 O75762 1/20 0.50
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
MAOA P21397 1/20 0.42
NAAA Q02083 3/20 0.42
MIF P14174 1/20 0.42

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
SCHEMBL11807544 1.00 FAAH (0.52) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL18240095 1.00 FAAH (0.52) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL12570603 0.98 FAAH (0.50) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL8008396 0.93 FAAH (0.44) FAAHTRPA1MAPTRXFP1SIGMAR1
SCHEMBL4323888 0.85 CTSC (0.44) FAAH
SCHEMBL2163440 0.85 CTSC (0.44) FAAH
SCHEMBL3997283 0.85 CTSC (0.44) FAAH
SCHEMBL4775723 0.79 TRPA1 (0.57) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL6471773 0.79 TRPA1 (0.57) FAAHTRPA1MAPTRXFP1S1PR2
SCHEMBL10928526 0.79 TRPA1 (0.57) FAAHTRPA1MAPTRXFP1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE FAAH 24/4885TRPA1 3511/4885MAPT 2715/4885

“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.