SCHEMBL666987

SCHEMBL666987

COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)nnc2N2CCCC2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.76
HCRTR1 O43613 4/20 0.51
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.47
APEX1 P27695 1/20 0.45
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL667564 0.92 HCRTR2 (0.89) HCRTR2HCRTR1POLBKDM4EMAPT
SCHEMBL667875 0.86 HCRTR2 (1.00) HCRTR2HCRTR1POLBKDM4EMAPT
SCHEMBL12403337 0.85 HCRTR2 (0.63) HCRTR2HCRTR1POLBKDM4EMAPT
SCHEMBL12404095 0.84 HCRTR2 (0.62) HCRTR2HCRTR1POLBALDH1A1RAB9A
SCHEMBL667539 0.84 HCRTR2 (0.78) HCRTR2HCRTR1POLBKDM4EMAPT
SCHEMBL12402815 0.83 HCRTR2 (0.63) HCRTR2HCRTR1POLBKDM4EMAPT
SCHEMBL664536 0.82 HCRTR2 (0.68) HCRTR2HCRTR1POLBKDM4EMAPT
SCHEMBL30277768 0.82 HCRTR2 (0.68) HCRTR2HCRTR1POLBKDM4EMAPT
SCHEMBL668041 0.81 HCRTR2 (0.67) HCRTR2HCRTR1ALDH1A1LMNASMN1; SMN2
SCHEMBL667877 0.80 HCRTR2 (1.00) HCRTR2HCRTR1POLBKDM4EMAPT

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-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 2/4885POLB 4666/4885

“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.