SCHEMBL3486115

SCHEMBL3486115

COc1ccc(CNC(=O)c2cc(-c3cnc(F)c(C)c3)cnc2-c2ccccn2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.61
HCRTR1 O43613 12/20 0.61
HTR1A P08908 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56
KCNH2 Q12809 1/20 0.56
CYP3A4 P08684 1/20 0.55
HTR2A P28223 1/20 0.55
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
WDR5 P61964 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
SCHEMBL1849280 0.89 HCRTR2 (0.57) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL13498691 0.87 HCRTR2 (0.70) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL28398425 0.83 LMNA (0.56) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL30171521 0.83 LMNA (0.56) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3486540 0.82 HCRTR2 (0.52) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL12024836 0.80 HCRTR2 (0.77) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3487028 0.80 HCRTR2 (0.60) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL13499116 0.77 HCRTR2 (0.56) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL13498698 0.77 HCRTR2 (0.69) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3485359 0.77 HCRTR2 (0.55) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885HTR1A 84/4885

“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.