SCHEMBL76310

SCHEMBL76310

CC(C)Cc1cn(-c2ccccc2C(F)(F)F)c(=O)n1CC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 4/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 7/20 0.35
CYP1A2 P05177 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRM2 Q14416 1/20 0.35
C5AR1 P21730 2/20 0.35
TDP1 Q9NUW8 3/20 0.33
DHODH Q02127 1/20 0.33
P2RX7 Q99572 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
POLB P06746 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
SCHEMBL75173 0.96 CNR1 (0.38) SLC16A1CNR1CNR2L3MBTL1GRM2
SCHEMBL76230 0.80 L3MBTL1 (0.37) CNR1CNR2L3MBTL1GRM2C5AR1
SCHEMBL75271 0.79 POLB (0.39) SLC16A1L3MBTL1TDP1DHODHPPARG
SCHEMBL27782001 0.68 P2RX7 (0.32) CNR1CNR2L3MBTL1CYP1A2KCNH2
SCHEMBL76003 0.67 L3MBTL1 (0.39) L3MBTL1C5AR1TDP1DHODHPOLB
SCHEMBL76459 0.66 HCAR1 (0.43) L3MBTL1CYP1A2TDP1DHODHPOLB
SCHEMBL27782000 0.63 GRM2 (0.34) CNR1CNR2L3MBTL1GRM2TDP1
SCHEMBL29195813 0.62 EPHX2 (0.44) SLC16A1P2RX7EPHX2PPARGPOLB
SCHEMBL29195824 0.62 EPHX2 (0.44) SLC16A1P2RX7EPHX2PPARGPOLB
SCHEMBL4928464 0.59 CNR2 (0.46) CNR1CNR2

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 SLC16A1 586/4885CNR1 2851/4885CNR2 3964/4885

“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.