SCHEMBL1849280

SCHEMBL1849280

COc1ccc(CNC(=O)c2cc(-c3cc(C)cnc3F)cnc2-c2ccccn2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.57
HCRTR1 O43613 12/20 0.57
WDR5 P61964 1/20 0.55
KCNH2 Q12809 2/20 0.52
HTR1A P08908 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
CYP3A4 P08684 1/20 0.51
HTR2A P28223 1/20 0.51
LMNA P02545 1/20 0.48
GRIN2B Q13224 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44

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
SCHEMBL3486540 0.93 HCRTR2 (0.52) HCRTR2HCRTR1WDR5KCNH2HTR1A
SCHEMBL3486115 0.89 HCRTR2 (0.61) HCRTR2HCRTR1WDR5KCNH2HTR1A
SCHEMBL13498691 0.86 HCRTR2 (0.70) HCRTR2HCRTR1KCNH2HTR1AOPRM1
SCHEMBL28398425 0.81 LMNA (0.56) HCRTR2HCRTR1KCNH2HTR1AOPRM1
SCHEMBL30171521 0.81 LMNA (0.56) HCRTR2HCRTR1KCNH2HTR1AOPRM1
SCHEMBL1854206 0.80 AXL (0.47) HCRTR2HCRTR1CYP3A4HTR2ALMNA
SCHEMBL3487028 0.79 HCRTR2 (0.60) HCRTR2HCRTR1KCNH2HTR1AOPRM1
SCHEMBL12024836 0.78 HCRTR2 (0.77) HCRTR2HCRTR1KCNH2HTR1AOPRM1
SCHEMBL3485359 0.77 HCRTR2 (0.55) HCRTR2HCRTR1KCNH2HTR1AOPRM1
SCHEMBL665294 0.75 HCRTR2 (0.64) HCRTR2HCRTR1KCNH2HTR1AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323985-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2011-05-25 EP claimed
WO-2010017260-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-11 WO claimed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US claimed
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
US-8349872-B2 Tripyridyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349872-B2 Tripyridyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349872-B2 Tripyridyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 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-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 HCRTR2 1/4885HCRTR1 2/4885WDR5 353/4885

“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.