SCHEMBL87414

SCHEMBL87414

CC(C)(C)c1cn(C2CC3CCC2C3)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.43
CYP11B2 P19099 1/20 0.39
HSD11B1 P28845 1/20 0.38
ADORA2A P29274 2/20 0.33
LCK P06239 1/20 0.31
RET P07949 1/20 0.31
SRC P12931 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CPB2 Q96IY4 2/20 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
SCHEMBL87839 1.00 HCAR1 (0.43) HCAR1CYP11B2HSD11B1ADORA2ALCK
SCHEMBL87413 1.00 HCAR1 (0.43) HCAR1CYP11B2HSD11B1ADORA2ALCK
SCHEMBL87838 0.70 HCAR1 (0.40) HCAR1CYP11B2HSD11B1ADORA2AMEN1
SCHEMBL11816411 0.65 HCAR1 (0.43) HCAR1CYP11B2ADORA2AMEN1KMT2A
SCHEMBL11816421 0.64 HCAR1 (0.45) HCAR1CYP11B2HSD11B1ADORA2AMEN1
SCHEMBL4147813 0.61 ADORA2A (0.41) HCAR1CYP11B2HSD11B1ADORA2APDE4A
SCHEMBL8303043 0.60 TDP1 (0.45)
SCHEMBL2169792 0.60 CYP11B2 (0.41) HCAR1CYP11B2HSD11B1ADORA2AMEN1
SCHEMBL6971456 0.58 LMNA (0.48) HCAR1ADORA2APDE4APDE4BPDE4C
SCHEMBL11838497 0.58 HCAR1 (0.43) HCAR1CYP11B2ADORA2A

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 4 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-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 HCAR1 1331/4885CYP11B2 16/4885HSD11B1 1/4885

“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.