SCHEMBL76732

SCHEMBL76732

O=C1N(c2ccccc2C(F)(F)F)CC2(CCCCC2)N1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.43
TDP1 Q9NUW8 3/20 0.41
HTR1A P08908 1/20 0.37
OPRM1 P35372 3/20 0.37
OPRL1 P41146 3/20 0.37
HSD11B1 P28845 2/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDE7A Q13946 1/20 0.33
HTR7 P34969 1/20 0.33
HDAC4 P56524 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
SCHEMBL27782006 0.70 SCN9A (0.46) L3MBTL1TDP1
SCHEMBL22802095 0.68 HTR1A (0.40) L3MBTL1TDP1HTR1AHSD11B1CYP3A4
SCHEMBL704493 0.68 AR (0.42) L3MBTL1TDP1HTR1AHSD11B1CYP3A4
SCHEMBL77835 0.68 ALDH1A1 (0.43) OPRM1OPRL1KDM4E
SCHEMBL75463 0.66 L3MBTL1 (0.39) L3MBTL1TDP1HSD11B1CYP3A4KDM4E
SCHEMBL75213 0.65 PDE7A (0.33) PDE7A
SCHEMBL75469 0.64 HTR2A (0.39) L3MBTL1TDP1HSD11B1CYP3A4NOTUM
SCHEMBL8728249 0.64 MAPT (0.46) L3MBTL1TDP1CYP3A4KDM4EMAPT
SCHEMBL9223129 0.62 KMT2A (0.43) L3MBTL1TDP1HTR1AHSD11B1KDM4E
SCHEMBL19962678 0.62 MEN1 (0.45) L3MBTL1TDP1HTR1AHSD11B1CYP3A4

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 9 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
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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
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 L3MBTL1 4450/4885TDP1 1145/4885HTR1A 1099/4885

“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.