SCHEMBL667251

SCHEMBL667251

C[C@@H](NC(=O)c1cc(-c2ccc(F)nc2)nnc1N1CCOCC1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
MAPK1 P28482 3/20 0.41
MET P08581 1/20 0.40
HPGDS O60760 2/20 0.40
CNR1 P21554 1/20 0.40
KCNK3 O14649 5/20 0.40
ACACB O00763 2/20 0.39
KIT P10721 1/20 0.38

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 0.88 KCNK3 (0.41) CNR2MAPK1HPGDSCNR1KCNK3
SCHEMBL668319 0.87 HCRTR2 (0.45) CNR2MAPK1HPGDSKCNK3ACACB
SCHEMBL666996 0.86 HCRTR2 (0.48) CNR2HPGDSKCNK3ACACB
SCHEMBL667753 0.85 HCRTR2 (0.41) CNR2MAPK1HPGDSKCNK3ACACB
SCHEMBL668036 0.85 HCRTR2 (0.42) CNR2MAPK1METHPGDSACACB
SCHEMBL666604 0.84 HCRTR2 (0.40) CNR2HPGDSKIT
SCHEMBL666458 0.83 KDM4E (0.40) MAPK1HPGDSKCNK3ACACB
SCHEMBL666511 0.82 LRRK2 (0.44) CNR2
SCHEMBL10165791 0.82 TP53 (0.51) CNR2MAPK1
SCHEMBL10166451 0.69 TP53 (0.51) KCNK3

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
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 CNR2 12/4885MAPK1 2653/4885MET 2066/4885

“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.