SCHEMBL667875

SCHEMBL667875

COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(Cl)c3)nnc2N2CCOCC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 1.00
PDE4B Q07343 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE11A Q9HCR9 1/20 0.46
THRB P10828 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HCRTR1 O43613 6/20 0.46
HTR1A P08908 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 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
SCHEMBL667564 0.94 HCRTR2 (0.89) HCRTR2PDE4BPDE4APDE4CPDE4D
SCHEMBL667759 0.89 HCRTR2 (0.80) HCRTR2PDE4BPDE4APDE4CPDE4D
SCHEMBL667539 0.88 HCRTR2 (0.78) HCRTR2PDE4BPDE4APDE4CPDE4D
SCHEMBL2281681 0.87 HCRTR2 (0.77) HCRTR2PDE4BPDE4APDE4CPDE4D
SCHEMBL667403 0.87 HCRTR2 (0.76) HCRTR2HCRTR1
SCHEMBL666987 0.86 HCRTR2 (0.76) HCRTR2HCRTR1MAPTKDM4EPOLB
SCHEMBL667749 0.84 HCRTR2 (0.73) HCRTR2PDE4BPDE4APDE4CPDE4D
SCHEMBL666493 0.84 HCRTR2 (0.71) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL667566 0.81 HCRTR2 (0.69) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL666961 0.81 HCRTR2 (0.67) 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 1/4885PDE4B 2020/4885PDE4A 1771/4885

“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.