SCHEMBL76711

SCHEMBL76711

CC(C)Cc1cn(-c2ccc(F)cc2F)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
HCAR1 Q9BXC0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.33
PARP1 P09874 2/20 0.32
KCNH2 Q12809 1/20 0.32
GLA P06280 1/20 0.32
PARK7 Q99497 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MET P08581 1/20 0.32
DHODH Q02127 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL76308 0.73 GAA (0.53) HCAR1ALDH1A1
SCHEMBL74204 0.72 HCAR1 (0.46) HCAR1ALDH1A1KCNH2
SCHEMBL11247675 0.69 L3MBTL1 (0.48) L3MBTL1PGR
SCHEMBL4084134 0.65 ALDH1A1 (0.37) ALDH1A1MAPK14L3MBTL1TRPA1GLA
SCHEMBL76185 0.64 C5AR1 (0.35) ALDH1A1PARP1
SCHEMBL8536677 0.64 L3MBTL1 (0.37) DAOMAPK13MAPK12MAPK11MAPK14
SCHEMBL8723259 0.64 TDP1 (0.42) HCAR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL15811712 0.63 PARP1 (0.39) DAOALDH1A1PARP1HSD17B10
SCHEMBL3304069 0.63 HSD17B10 (0.46) ALDH1A1MAPK11MAPK14L3MBTL1GLA
SCHEMBL8227727 0.62 IDO1 (0.48) DAOALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
US-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 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-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 DAO 4297/4885HCAR1 1331/4885ALDH1A1 97/4885

“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.