SCHEMBL78488

SCHEMBL78488

COC(=O)C12CC3CC(C1)C(N1CC(COCc4ccccc4)N(C)C1=O)C(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.42
RECQL P46063 1/20 0.36
EPHX2 P34913 2/20 0.35
ADAM17 P78536 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
HSD11B2 P80365 3/20 0.34
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 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
SCHEMBL75752 0.92 HSD11B1 (0.43) HSD11B1EPHX2HPGDHSD11B2
SCHEMBL75719 0.90 HSD11B1 (0.53) HSD11B1HSD11B2
SCHEMBL75919 0.86 HSD11B1 (0.50) HSD11B1EPHX2HSD11B2
SCHEMBL1116549 0.75 HSD11B1 (0.41) HSD11B1RECQLEPHX2ALDH1A1SMN1; SMN2
SCHEMBL4089109 0.71 HSD11B1 (0.39) HSD11B1ALDH1A1HSD11B2
SCHEMBL3231559 0.70 HSD11B1 (0.39) HSD11B1RECQLEPHX2ALDH1A1SMN1; SMN2
SCHEMBL2170173 0.70 HSD11B1 (0.39) HSD11B1RECQLEPHX2ALDH1A1SMN1; SMN2
SCHEMBL3233876 0.70 HSD11B1 (0.39) HSD11B1RECQLEPHX2ALDH1A1SMN1; SMN2
SCHEMBL1844608 0.69 CPB1 (0.49) HSD11B1RECQLEPHX2ALDH1A1SMN1; SMN2
SCHEMBL2837021 0.69 CPB1 (0.49) HSD11B1RECQLEPHX2ALDH1A1SMN1; SMN2

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
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

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 HSD11B1 1/4885RECQL 1123/4885EPHX2 3757/4885

“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.