SCHEMBL666996

SCHEMBL666996

C[C@@H](NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)nnc1N1CCOCC1)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.48
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE2A O00408 3/20 0.39
CNR2 P34972 1/20 0.39
ACACB O00763 2/20 0.39
MMP9 P14780 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGDS O60760 2/20 0.38
KCNK3 O14649 1/20 0.37
TACR3 P29371 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
SCHEMBL668036 0.92 HCRTR2 (0.42) HCRTR2MEN1KMT2APDE2ACNR2
SCHEMBL668319 0.87 HCRTR2 (0.45) HCRTR2PDE2ACNR2ACACBHPGDS
SCHEMBL667753 0.86 HCRTR2 (0.41) HCRTR2PDE2ACNR2ACACBMMP9
SCHEMBL667251 0.86 CNR2 (0.42) CNR2ACACBHPGDSKCNK3
SCHEMBL667392 0.85 KCNK3 (0.41) PDE2ACNR2HPGDSKCNK3
SCHEMBL666511 0.84 LRRK2 (0.44) MEN1KMT2ACNR2
SCHEMBL666604 0.84 HCRTR2 (0.40) HCRTR2MEN1KMT2APDE2ACNR2
SCHEMBL666458 0.83 KDM4E (0.40) HCRTR2PDE2AACACBMMP9HPGDS
SCHEMBL10166866 0.73 HCRTR2 (0.58) HCRTR2
SCHEMBL666685 0.72 MMP9 (0.38) MEN1KMT2APDE2AACACBMMP9

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 9 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-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 1/4885MEN1 1993/4885KMT2A 799/4885

“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.