SCHEMBL7909260

SCHEMBL7909260

NCc1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.47
PDE4A P27815 8/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ST14 Q9Y5Y6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 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
Hydrochloric Acid SCHEMBL2282287 0.98 CSNK2A1 (0.49) CSNK2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL15711376 0.91 CSNK2A1 (0.61) CSNK2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL15711391 0.88 CSNK2A1 (0.43) CSNK2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8258256 0.85 CSNK2A1 (0.41) CSNK2A1LOXL2
SCHEMBL2440368 0.85 CSNK2A1 (0.45) CSNK2A1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL25370524 0.83 CSNK2A1 (0.42) CSNK2A1LOXL2
SCHEMBL19664448 0.83 CSNK2A1 (0.47) CSNK2A1
Hydrochloric Acid SCHEMBL30580207 0.83 CSNK2A1 (0.42) CSNK2A1LOXL2
SCHEMBL13343804 0.83 CYP1A2 (0.45) CSNK2A1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3566436 0.82 LMNA (0.46) CSNK2A1ST14KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
EP-2349262-B1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 EP disclosed
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399494-B2 2,5-disubstituted phenyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8349872-B2 Tripyridyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349872-B2 Tripyridyl carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-08 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-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists MERCK & CO., INC. 2011-08-25 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
WO-2010051237-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010017260-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (7 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CSNK2A1 4586/4885PDE4A 1664/4885PDE4B 2114/4885
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 CSNK2A1 2925/4885PDE4A 2140/4885PDE4B 2157/4885
US-20110207747-A1 2,5-Disubstituted Phenyl Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, CRHR2 CSNK2A1 3143/4885PDE4A 2036/4885PDE4B 1488/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CSNK2A1 4586/4885PDE4A 1664/4885PDE4B 2114/4885
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CSNK2A1 2366/4885PDE4A 1323/4885PDE4B 1413/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R CSNK2A1 2366/4885PDE4A 1323/4885PDE4B 1413/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CSNK2A1 4586/4885PDE4A 1664/4885PDE4B 2114/4885

“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.