SCHEMBL76027

SCHEMBL76027

CC(C)n1c(-c2ccccc2)cn(C2C3CC4CC(C3)CC2C4)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
EPHX2 P34913 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.33
CNR2 P34972 2/20 0.32
FLT3 P36888 2/20 0.31
GSK3B P49841 1/20 0.31
ADORA2B P29275 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.30
NR1I2 O75469 1/20 0.30
EGFR P00533 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL74990 0.78 DRD2 (0.41) HSD11B1EPHX2DRD2DRD4DRD3
SCHEMBL75191 0.69 DRD2 (0.49) HSD11B1EPHX2DRD2DRD4DRD3
SCHEMBL4078971 0.67 POLB (0.38) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL75211 0.66 CYP1A2 (0.38) EPHX2DRD2DRD4DRD3ALDH1A1
SCHEMBL75664 0.66 HSD11B1 (0.32) HSD11B1EPHX2
SCHEMBL74972 0.65 EPHX2 (0.40) HSD11B1EPHX2ALDH1A1USP2HPGD
SCHEMBL76480 0.65 ALDH1A1 (0.39) HSD11B1ALDH1A1KDM4EFLT3
SCHEMBL77116 0.64 FLT3 (0.50) HSD11B1EPHX2DRD2DRD4DRD3
SCHEMBL75582 0.63 HSD11B1 (0.33) HSD11B1PDE4D
SCHEMBL75065 0.62 HSD11B1 (0.45) HSD11B1EPHX2DRD2DRD4DRD3

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 HSD11B1 1/4885EPHX2 3757/4885DRD2 2764/4885

“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.