SCHEMBL2314409

SCHEMBL2314409

COc1ccc(CNC(=O)c2cc(Br)ccc2-c2cccnc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.65
NR2F2 P24468 1/20 0.65
HCRTR1 O43613 7/20 0.61
HCRTR2 O43614 7/20 0.61
HTR1A P08908 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
RECQL P46063 1/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
USP2 O75604 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL2312870 0.85 HCRTR2 (0.77) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL2308080 0.85 GALR3 (0.61) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL2312413 0.85 HCRTR1 (0.77) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL2250557 0.82 HCRTR2 (0.75) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL2249445 0.81 HCRTR2 (0.66) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL3625355 0.80 HCRTR1 (0.83) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL14082550 0.80 SMN1; SMN2 (0.77) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL2253441 0.79 HCRTR2 (0.68) GALR3NR2F2HCRTR1HCRTR2HTR1A
SCHEMBL1246983 0.78 MAPK1 (0.78) GALR3NR2F2HCRTR1HCRTR2RECQL
SCHEMBL6942189 0.77 SMN1; SMN2 (0.58) RECQLALDH1A1L3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349262-B1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2349262-B1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
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-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
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
EP-2349262-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010051237-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO 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 GALR3 140/4885NR2F2 306/4885HCRTR1 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.