SCHEMBL667753

SCHEMBL667753

Cc1cncc(-c2cc(C(=O)N[C@H](C)c3ccc4ccccc4c3)c(N3CCOCC3)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.41
HPGDS O60760 2/20 0.41
HCRTR1 O43613 1/20 0.40
PDE2A O00408 3/20 0.39
LRRK2 Q5S007 1/20 0.38
CNR2 P34972 3/20 0.37
MMP9 P14780 1/20 0.37
MAPK1 P28482 1/20 0.36
P2RX3 P56373 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
KCNK3 O14649 1/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL668036 0.91 HCRTR2 (0.42) HCRTR2HPGDSPDE2ALRRK2CNR2
SCHEMBL667392 0.91 KCNK3 (0.41) HPGDSPDE2ACNR2MAPK1KCNK3
SCHEMBL666604 0.90 HCRTR2 (0.40) HCRTR2HPGDSHCRTR1PDE2ACNR2
SCHEMBL668319 0.89 HCRTR2 (0.45) HCRTR2HPGDSPDE2ACNR2MAPK1
SCHEMBL666996 0.86 HCRTR2 (0.48) HCRTR2HPGDSPDE2ACNR2MMP9
SCHEMBL667251 0.85 CNR2 (0.42) HPGDSCNR2MAPK1KCNK3ACACB
SCHEMBL666458 0.83 KDM4E (0.40) HCRTR2HPGDSPDE2AMMP9MAPK1
SCHEMBL10166441 0.83 HCRTR2 (0.58) HCRTR2HCRTR1
SCHEMBL666511 0.82 LRRK2 (0.44) LRRK2CNR2
SCHEMBL10166151 0.73 HCRTR2 (0.57) HCRTR2HCRTR1GSK3BDYRK1A

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 10 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
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 1/4885HPGDS 1632/4885HCRTR1 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.