SCHEMBL8082671

SCHEMBL8082671

COc1ccc(C(C)NC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-c2cnn(C)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.51
HCRTR1 O43613 5/20 0.51
MET P08581 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CLK1 P49759 2/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE10A Q9Y233 2/20 0.40
HPGD P15428 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL12373197 0.90 HCRTR2 (0.45) HCRTR2HCRTR1METCLK1MAPK1
SCHEMBL8087620 0.87 HCRTR1 (0.55) HCRTR2HCRTR1SMN1; SMN2RPS6KB1MAPK1
SCHEMBL2279860 0.86 MET (0.43) HCRTR2HCRTR1METCLK1PDPK1
SCHEMBL8081046 0.83 HCRTR2 (0.73) HCRTR2HCRTR1MET
SCHEMBL2277007 0.83 SMN1; SMN2 (0.43) HCRTR2HCRTR1METSMN1; SMN2CLK1
SCHEMBL2282140 0.82 KIT (0.49) HCRTR2HCRTR1CLK1RPS6KB1MAPK1
SCHEMBL12373198 0.76 HCRTR2 (0.61) HCRTR2HCRTR1METMAPK1
SCHEMBL2277917 0.76 HCRTR2 (0.78) HCRTR2HCRTR1MET
SCHEMBL2280004 0.73 HCRTR2 (0.70) HCRTR2HCRTR1MET
SCHEMBL2280728 0.71 HCRTR2 (0.61) HCRTR2HCRTR1METMAPK1

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-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 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-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885HCRTR1 2/4885MET 2336/4885

“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.