SCHEMBL75037

SCHEMBL75037

Cc1cccc(C(F)(F)F)c1N=C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
CYP3A4 P08684 3/20 0.41
AR P10275 4/20 0.37
PARP1 P09874 1/20 0.35
TRPA1 O75762 1/20 0.33
TDP1 Q9NUW8 4/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
ALOX12 P18054 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
MEN1 O00255 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
SCHEMBL28211238 0.87 GABRA1 (0.45) GABRA1GABRB2CYP3A4PARP1TDP1
SCHEMBL29648839 0.84 GABRA1 (0.46) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL1456973 0.84 GABRA1 (0.46) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL7528335 0.83 CYP3A4 (0.45) GABRA1GABRB2CYP3A4ARTRPA1
SCHEMBL374209 0.80 GABRA1 (0.56) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL158739 0.80 GABRA1 (0.40) GABRA1GABRB2CYP3A4ARPARP1
SCHEMBL21958796 0.79 ATM (0.39) GABRA1GABRB2CYP3A4ARPARP1
SCHEMBL10613040 0.79 GABRA1 (0.68) GABRA1GABRB2CYP3A4ARPARP1
SCHEMBL163538 0.79 GABRA1 (0.43) GABRA1GABRB2CYP3A4ARPARP1
SCHEMBL8093597 0.76 CYP3A4 (0.47) CYP3A4ARTRPA1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
EP-0217787-A4 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION. RORER INTERNAT OVERSEAS INC (US) 1988-07-21 EP disclosed
EP-0217787-A1 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-04-15 EP disclosed
WO-1986004935-A1 AMIDINOUREA PROCESS AND PHARMACEUTICAL COMPOSITION RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-08-28 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 (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 GABRA1 1345/4885GABRB2 1591/4885CYP3A4 63/4885

“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.