SCHEMBL7921963

SCHEMBL7921963

COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2-c2cnccn2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.58
HCRTR1 O43613 15/20 0.58
HTR1A P08908 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
KCNH2 Q12809 1/20 0.49
WDR5 P61964 2/20 0.47
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
CYP3A4 P08684 2/20 0.46
PDE5A O76074 1/20 0.45

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
SCHEMBL2346046 0.84 HCRTR2 (0.59) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2314248 0.83 HCRTR2 (0.55) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2275627 0.79 HCRTR2 (0.70) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2281924 0.79 HCRTR2 (0.52) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2277880 0.79 HCRTR2 (0.65) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2306338 0.78 HCRTR2 (0.60) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2283590 0.77 HCRTR2 (0.50) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2275586 0.77 HCRTR2 (0.52) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2249654 0.77 HCRTR2 (0.57) HCRTR2HCRTR1CYP3A4
SCHEMBL2250966 0.76 HCRTR2 (0.73) HCRTR2HCRTR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US claimed
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
WO-2010051237-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, CRHR2 HCRTR2 1/4885HCRTR1 2/4885HTR1A 41/4885

“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.