SCHEMBL665294

SCHEMBL665294

COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2-c2ccccn2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.64
HCRTR1 O43613 10/20 0.55
HTR1A P08908 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55
KCNH2 Q12809 1/20 0.55
CYP3A4 P08684 1/20 0.50
HTR2A P28223 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL666961 0.90 HCRTR2 (0.67) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL666493 0.86 HCRTR2 (0.71) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL664536 0.81 HCRTR2 (0.68) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL30277768 0.81 HCRTR2 (0.68) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL13498691 0.79 HCRTR2 (0.70) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2253441 0.79 HCRTR2 (0.68) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL667875 0.78 HCRTR2 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL30171521 0.77 LMNA (0.56) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL28398425 0.77 LMNA (0.56) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3486115 0.75 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 US claimed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 US claimed
EP-2349267-A1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP claimed
WO-2010051238-A1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO claimed
EP-2349267-B1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
EP-2349267-B1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
US-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 US disclosed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 US disclosed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 US disclosed
EP-2349267-A1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010051238-A1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051238-A1 PYRIDAZINE 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-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885HCRTR1 2/4885HTR1A 43/4885

“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.