SCHEMBL2276982

SCHEMBL2276982

COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2Cl)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.72
HCRTR1 O43613 10/20 0.72
HTR1A P08908 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
APEX1 P27695 1/20 0.49

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
SCHEMBL3623808 0.85 HCRTR1 (0.58) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3615560 0.84 HCRTR2 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL30277768 0.83 HCRTR2 (0.68) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL664536 0.83 HCRTR2 (0.68) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL12402815 0.82 HCRTR2 (0.63) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL12403337 0.82 HCRTR2 (0.63) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2279797 0.82 HCRTR2 (0.76) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL12404095 0.82 HCRTR2 (0.62) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2278091 0.82 HCRTR2 (0.77) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL12401999 0.81 HCRTR2 (0.61) HCRTR2HCRTR1HTR1AOPRM1DRD3

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 12 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
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-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 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
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
EP-2184981-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-05-19 EP disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO 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 (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 HCRTR2 1/4885HCRTR1 2/4885HTR1A 47/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885HCRTR1 2/4885HTR1A 47/4885

“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.