SCHEMBL76230

SCHEMBL76230

CC(C)c1cn(-c2ccccc2C(F)(F)F)c(=O)n1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.37
TDP1 Q9NUW8 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GRM2 Q14416 2/20 0.37
DHODH Q02127 1/20 0.37
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 3/20 0.36
POLB P06746 1/20 0.35
C5AR1 P21730 1/20 0.35
CRHR1 P34998 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HCAR1 Q9BXC0 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
SCHEMBL75173 0.84 CNR1 (0.38) L3MBTL1TDP1CNR1CNR2GRM2
SCHEMBL76310 0.80 SLC16A1 (0.36) L3MBTL1TDP1CNR1CNR2GRM2
SCHEMBL76003 0.80 L3MBTL1 (0.39) L3MBTL1TDP1DHODHPOLBC5AR1
SCHEMBL75271 0.68 POLB (0.39) L3MBTL1TDP1DHODHPOLBHCAR1
SCHEMBL27760474 0.65 GRM2 (0.35) L3MBTL1TDP1CNR1CNR2GRM2
SCHEMBL74577 0.64 HCAR1 (0.46) L3MBTL1TDP1DHODHPOLBCYP2C9
SCHEMBL23566145 0.64 ALDH1A1 (0.37) L3MBTL1CNR2
SCHEMBL22552539 0.64 POLB (0.52) L3MBTL1TDP1DHODHPOLBHCAR1
SCHEMBL3526806 0.62 GRM2 (0.37) L3MBTL1TDP1CNR1CNR2GRM2
SCHEMBL76459 0.62 HCAR1 (0.43) L3MBTL1TDP1DHODHPOLBCYP2C9

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 L3MBTL1 4450/4885TDP1 1145/4885CNR1 2851/4885

“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.