SCHEMBL667392

SCHEMBL667392

C[C@@H](NC(=O)c1cc(-c2cncc(F)c2)nnc1N1CCOCC1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.41
CNR2 P34972 6/20 0.39
CNR1 P21554 1/20 0.39
MAPK1 P28482 2/20 0.38
KIT P10721 1/20 0.38
HPGDS O60760 1/20 0.38
PDE2A O00408 2/20 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
SCHEMBL667753 0.91 HCRTR2 (0.41) KCNK3CNR2MAPK1HPGDSPDE2A
SCHEMBL668036 0.90 HCRTR2 (0.42) CNR2MAPK1HPGDSPDE2A
SCHEMBL666604 0.90 HCRTR2 (0.40) CNR2KITHPGDSPDE2A
SCHEMBL668319 0.89 HCRTR2 (0.45) KCNK3CNR2MAPK1HPGDSPDE2A
SCHEMBL667251 0.88 CNR2 (0.42) KCNK3CNR2CNR1MAPK1KIT
SCHEMBL666996 0.85 HCRTR2 (0.48) KCNK3CNR2HPGDSPDE2A
SCHEMBL666458 0.82 KDM4E (0.40) KCNK3MAPK1HPGDSPDE2A
SCHEMBL10166451 0.82 TP53 (0.51) KCNK3
SCHEMBL666511 0.82 LRRK2 (0.44) CNR2
SCHEMBL10166441 0.74 HCRTR2 (0.58)

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 KCNK3 1513/4885CNR2 12/4885CNR1 17/4885

“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.