SCHEMBL666458

SCHEMBL666458

Cc1ccc(F)c(-c2cc(C(=O)N[C@H](C)c3ccc4ccccc4c3)c(N3CCOCC3)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KCNK3 O14649 6/20 0.39
PDE2A O00408 3/20 0.39
HPGDS O60760 2/20 0.38
KCNQ2 O43526 1/20 0.38
CYP3A4 P08684 1/20 0.38
HCRTR2 O43614 1/20 0.38
ACACB O00763 3/20 0.37
MMP9 P14780 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL668319 0.86 HCRTR2 (0.45) KCNK3PDE2AHPGDSHCRTR2ACACB
SCHEMBL666996 0.83 HCRTR2 (0.48) KCNK3PDE2AHPGDSHCRTR2ACACB
SCHEMBL667251 0.83 CNR2 (0.42) KCNK3HPGDSACACBMAPK1
SCHEMBL667753 0.83 HCRTR2 (0.41) KCNK3PDE2AHPGDSHCRTR2ACACB
SCHEMBL667392 0.82 KCNK3 (0.41) KCNK3PDE2AHPGDSMAPK1
SCHEMBL668036 0.81 HCRTR2 (0.42) PDE2AHPGDSHCRTR2ACACBMMP9
SCHEMBL666604 0.78 HCRTR2 (0.40) PDE2AHPGDSHCRTR2
SCHEMBL666511 0.78 LRRK2 (0.44) KDM4E
SCHEMBL25702073 0.66 NPC1 (0.39) ACACBMAPK1
SCHEMBL25702060 0.66 ALDH1A1 (0.48) KDM4EKCNQ2MAPK1

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
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 KDM4E 1824/4885KCNK3 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.