SCHEMBL2273526

SCHEMBL2273526

Cc1cc(Cl)cc(-c2cnc(N3CCOCC3)c(C(=O)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
HCRTR2 O43614 1/20 0.43
CNR1 P21554 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
TP53 P04637 6/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.37
ACLY P53396 1/20 0.37
GRIN2B Q13224 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3264683 0.81 CNR2 (0.49) CNR2CNR1PRKAB2PRKAG1PRKAA2
SCHEMBL17478716 0.80 PRKAB2 (0.50) CNR2CNR1PRKAB2PRKAG1PRKAA2
SCHEMBL3264680 0.80 CNR2 (0.53) CNR2CNR1PRKAB2PRKAG1PRKAA2
SCHEMBL17478688 0.78 LRRK2 (0.46) CNR2
SCHEMBL17478815 0.77 CYP1A2 (0.52) CNR2LMNAMEN1KMT2A
SCHEMBL2280016 0.77 HCRTR2 (0.53) HCRTR2TP53LMNA
SCHEMBL2281681 0.77 HCRTR2 (0.77) HCRTR2TP53THRBLMNA
SCHEMBL17479078 0.76 ALDH1A1 (0.42) CNR2CNR1PRKAB2PRKAG1PRKAA2
SCHEMBL17478785 0.75 GAK (0.51) CNR2CNR1PRKAB2PRKAG1PRKAA2
SCHEMBL17479159 0.75 CNR2 (0.40) CNR2CNR1PRKAB2PRKAG1PRKAA2

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-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-8003797-B2 Pyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 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 (2 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-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CNR2 11/4885HCRTR2 1/4885CNR1 12/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R CNR2 11/4885HCRTR2 1/4885CNR1 12/4885

“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.