SCHEMBL75873

SCHEMBL75873

CC(C)Cc1cn(-c2ccccc2OC(F)(F)F)c(=O)n1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.37
HCAR1 Q9BXC0 3/20 0.36
C5AR1 P21730 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CACNA1C Q13936 2/20 0.33
CHRM4 P08173 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32

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
SCHEMBL75797 0.87 USP2 (0.37) C5AR1
SCHEMBL75173 0.84 CNR1 (0.38) SCN9AHCAR1C5AR1CNR1CNR2
SCHEMBL74204 0.70 HCAR1 (0.46) SCN9AHCAR1SLC6A2SLC6A4CACNA1C
SCHEMBL27760475 0.69 SCN9A (0.34) SCN9AHCAR1SLC6A2SLC6A4CACNA1C
SCHEMBL76230 0.68 L3MBTL1 (0.37) HCAR1C5AR1CNR1CNR2
SCHEMBL4088183 0.63 HCAR1 (0.39) SCN9AHCAR1SLC6A2SLC6A4
SCHEMBL2662469 0.61 SLC6A2 (0.49) SLC6A2SLC6A4
SCHEMBL27306746 0.61 DRD2 (0.44) HCAR1CHRM4
SCHEMBL13744899 0.60 SCN9A (0.44) SCN9ACNR1CNR2
SCHEMBL27760468 0.60 HCAR1 (0.34) SCN9AHCAR1SLC6A2SLC6A4CHRM4

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 SCN9A 1691/4885HCAR1 1331/4885C5AR1 4201/4885

“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.