SCHEMBL76480

SCHEMBL76480

CC(C)c1cn(C2C3CC4CC(C3)CC2C4)c(=O)n1Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.38
PKM P14618 2/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.37
LMNA P02545 2/20 0.37
NOX4 Q9NPH5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA5 P31644 4/20 0.35
GABRA1 P14867 3/20 0.35
GNRHR P30968 1/20 0.35
FLT3 P36888 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL77108 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EPKMMAPTHSD11B1
SCHEMBL4078679 0.72 TLR7 (0.40) ALDH1A1PKMHSD11B1LMNANOX4
SCHEMBL2170191 0.69 HSD11B1 (0.41) ALDH1A1KDM4EPKMHSD11B1LMNA
SCHEMBL75664 0.67 HSD11B1 (0.32) HSD11B1
SCHEMBL77116 0.64 FLT3 (0.50) HSD11B1FLT3
SCHEMBL18157875 0.61 KDM4E (0.42) ALDH1A1KDM4EPKMMAPTMEN1
SCHEMBL75065 0.60 HSD11B1 (0.45) ALDH1A1KDM4EHSD11B1LMNA
SCHEMBL19048498 0.60 BRD4 (0.51) ALDH1A1PKMLMNANOX4MEN1
SCHEMBL26886464 0.59 KMT2A (0.53) ALDH1A1KDM4EPKMLMNAMEN1
SCHEMBL3363216 0.59 SMN1; SMN2 (0.54) ALDH1A1KDM4EHSD11B1MEN1KMT2A

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 ALDH1A1 97/4885KDM4E 1757/4885PKM 971/4885

“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.