SCHEMBL2277007

SCHEMBL2277007

COc1ccc(C(C)NC(=O)c2cc(-c3cccc(CF)c3)cnc2-c2cnn(C)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HCRTR2 O43614 7/20 0.43
HCRTR1 O43613 6/20 0.42
CYP19A1 P11511 1/20 0.40
MET P08581 1/20 0.40
CLK1 P49759 2/20 0.40
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
HTR1A P08908 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK1 P28482 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
SCHEMBL2282283 0.85 HCRTR2 (0.60) HCRTR2HCRTR1METCLK1HTR1A
SCHEMBL8082671 0.83 HCRTR2 (0.51) SMN1; SMN2HCRTR2HCRTR1METCLK1
SCHEMBL2282140 0.76 KIT (0.49) HCRTR2HCRTR1CLK1MAPK1
SCHEMBL12373197 0.73 HCRTR2 (0.45) HCRTR2HCRTR1METCLK1MAPK1
SCHEMBL2277611 0.71 HCRTR2 (0.59) SMN1; SMN2HCRTR2HCRTR1HTR1AOPRM1
SCHEMBL3624824 0.71 CLK1 (0.43) HCRTR2HCRTR1METCLK1AXL
SCHEMBL2279860 0.70 MET (0.43) HCRTR2HCRTR1METCLK1MAPK1
SCHEMBL2277917 0.70 HCRTR2 (0.78) HCRTR2HCRTR1METHTR1AOPRM1
SCHEMBL8087620 0.69 HCRTR1 (0.55) SMN1; SMN2HCRTR2HCRTR1HTR1AOPRM1
SCHEMBL8081046 0.69 HCRTR2 (0.73) HCRTR2HCRTR1METHTR1AOPRM1

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 8 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 claimed
JP-2010535769-A 2010-11-25 JP claimed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US claimed
EP-2184981-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-05-19 EP claimed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO claimed
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 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 (2 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-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SMN1; SMN2 2599/4885HCRTR2 1/4885HCRTR1 2/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R SMN1; SMN2 2599/4885HCRTR2 1/4885HCRTR1 2/4885

“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.