SCHEMBL1847871

SCHEMBL1847871

COC(=O)c1cc(-c2cc(C)cnc2F)cnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.38
CYP46A1 Q9Y6A2 1/20 0.36
ATM Q13315 1/20 0.36
KDR P35968 1/20 0.36
OPRK1 P41145 1/20 0.34
SCN9A Q15858 2/20 0.34
TGFBR1 P36897 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
AXL P30530 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7965235 0.87 CYP46A1 (0.38) WDR5CYP46A1ATMOPRK1SMN1; SMN2
SCHEMBL3732128 0.82 ATM (0.47) CYP46A1ATMKDROPRK1SMN1; SMN2
SCHEMBL2275719 0.79 ATM (0.50) CYP46A1ATMKDRSMN1; SMN2NPC1
SCHEMBL1854206 0.77 AXL (0.47) CYP46A1TGFBR1RAB9AAXLL3MBTL1
SCHEMBL2582436 0.74 OPRK1 (0.46) OPRK1SCN9ASMN1; SMN2NPC1RAB9A
SCHEMBL11377060 0.74 KDM4E (0.40) SMN1; SMN2NPC1RAB9AAXLL3MBTL1
SCHEMBL473981 0.74 OPRK1 (0.48) OPRK1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL30816026 0.74 OPRK1 (0.48) OPRK1SMN1; SMN2NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL1325330 0.73 OPRK1 (0.45) OPRK1SCN9ASMN1; SMN2NPC1RAB9A
SCHEMBL8623985 0.72 AXL (0.59) SMN1; SMN2AXLSLC6A4SLC6A3KDM4E

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
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP 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
EP-2323985-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2011-05-25 EP 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-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 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 (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-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 WDR5 353/4885CYP46A1 1468/4885ATM 4850/4885

“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.