SCHEMBL2255494

SCHEMBL2255494

COc1cc(CN)cnc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
LOX P28300 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CA P42336 4/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CG P48736 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.36
SLC22A1 O15245 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DHFR P00374 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
SCHEMBL932294 0.87 HTR2A (0.56) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL12675328 0.87 CHRM4 (0.42) LOXLOXL2TAAR1PIK3CACYP3A4
Hydrochloric Acid SCHEMBL26603040 0.85 CHRM4 (0.41) LOXLOXL2TAAR1PIK3CACYP3A4
Hydrochloric Acid SCHEMBL31087492 0.85 CHRM4 (0.41) LOXLOXL2TAAR1PIK3CACYP3A4
SCHEMBL12524837 0.82 PTGS2 (0.50) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL4550381 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL19330511 0.81 NPC1 (0.48) HTR2AHTR2CHTR2BTAAR1TSHR
SCHEMBL10948586 0.81 NPC1 (0.41) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL19330349 0.81 PIK3CA (0.39) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL30716603 0.81 PIK3CA (0.39) HTR2AHTR2CHTR2BKDM4EATM

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 30 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-2350010-B1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
EP-2350010-B1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-8592457-B2 Isonicotinamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-11-26 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-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-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists BERGMAN JEFFREY M (US) 2011-12-08 US disclosed
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. 2010-08-05 US disclosed
EP-2184981-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-05-19 EP disclosed
WO-2010051236-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051236-A1 ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
US-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-03-11 US 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-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO 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 (4 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-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 HTR2A 65/4885HTR2C 101/4885HTR2B 108/4885
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 HTR2A 64/4885HTR2C 103/4885HTR2B 96/4885
US-20100197652-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HTR2A 46/4885HTR2C 72/4885HTR2B 55/4885
US-20110301140-A1 Pyridine Carboxamide orexin Receptor Antagonists HCRTR2, HCRTR1, NPY1R HTR2A 46/4885HTR2C 72/4885HTR2B 55/4885

“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.