SCHEMBL74204

SCHEMBL74204

CC(C)Cc1cn(-c2ccccc2OC(F)(F)F)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 6/20 0.46
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PDE9A O76083 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
CYP2D6 P10635 3/20 0.35
KCNH2 Q12809 3/20 0.35
SCN9A Q15858 5/20 0.35
SLC6A3 Q01959 1/20 0.34
P2RX7 Q99572 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CACNA1C Q13936 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
SCHEMBL76308 0.85 GAA (0.53) HCAR1ALDH1A1GAAKDM4EHPGD
SCHEMBL76711 0.72 DAO (0.36) HCAR1ALDH1A1KCNH2
SCHEMBL11257437 0.72 HCAR1 (0.47) HCAR1ALDH1A1GAAKDM4E
SCHEMBL75873 0.70 SCN9A (0.37) HCAR1SLC6A2SLC6A4SCN9ACACNA1C
SCHEMBL2662469 0.69 SLC6A2 (0.49) PDE9APDE1APDE1BPDE1CSLC6A2
SCHEMBL76185 0.68 C5AR1 (0.35) ALDH1A1KDM4EP2RX7
SCHEMBL4088183 0.68 HCAR1 (0.39) HCAR1PDE9APDE1APDE1BPDE1C
SCHEMBL10954919 0.67 HCAR1 (0.53) HCAR1KDM4EP2RX7POLBNPSR1
SCHEMBL7681849 0.67 GAA (0.53) HCAR1ALDH1A1GAA
SCHEMBL27760468 0.65 HCAR1 (0.34) HCAR1SLC6A2SLC6A4CYP2D6KCNH2

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 HCAR1 1331/4885ALDH1A1 97/4885GAA 3162/4885

“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.