SCHEMBL668319

SCHEMBL668319

Cc1cc(F)cc(-c2cc(C(=O)N[C@H](C)c3ccc4ccccc4c3)c(N3CCOCC3)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.45
KCNK3 O14649 10/20 0.41
PDE2A O00408 2/20 0.39
HPGDS O60760 1/20 0.39
MAPK1 P28482 2/20 0.38
CNR2 P34972 2/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL667392 0.89 KCNK3 (0.41) KCNK3PDE2AHPGDSMAPK1CNR2
SCHEMBL667753 0.89 HCRTR2 (0.41) HCRTR2KCNK3PDE2AHPGDSMAPK1
SCHEMBL666996 0.87 HCRTR2 (0.48) HCRTR2KCNK3PDE2AHPGDSCNR2
SCHEMBL667251 0.87 CNR2 (0.42) KCNK3HPGDSMAPK1CNR2ACACB
SCHEMBL666458 0.86 KDM4E (0.40) HCRTR2KCNK3PDE2AHPGDSMAPK1
SCHEMBL668036 0.83 HCRTR2 (0.42) HCRTR2PDE2AHPGDSMAPK1CNR2
SCHEMBL666511 0.82 LRRK2 (0.44) CNR2
SCHEMBL666604 0.82 HCRTR2 (0.40) HCRTR2PDE2AHPGDSCNR2
SCHEMBL2279860 0.72 MET (0.43) HCRTR2PDE2AHPGDSMAPK1CNR2
SCHEMBL10166451 0.71 TP53 (0.51) HCRTR2KCNK3

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
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-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
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 1/4885KCNK3 1513/4885PDE2A 2326/4885

“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.