SCHEMBL76185

SCHEMBL76185

Cc1cccc(C(F)(F)F)c1-n1cc(CC(C)C)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.35
P2RX7 Q99572 2/20 0.35
ITGB1 P05556 3/20 0.33
ITGA4 P13612 3/20 0.33
ITGB7 P26010 3/20 0.33
CMA1 P23946 2/20 0.32
PARP1 P09874 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DRD1 P21728 2/20 0.31

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
SCHEMBL76459 0.81 HCAR1 (0.43) KDM4EMAPK1ALDH1A1
SCHEMBL11249030 0.73 GAA (0.53) KDM4EALDH1A1
SCHEMBL74204 0.68 HCAR1 (0.46) P2RX7KDM4EALDH1A1
SCHEMBL4092726 0.68 ALDH1A1 (0.36) C5AR1P2RX7PARP1ALDH1A1
SCHEMBL6493164 0.68 GPR84 (0.43) PARP1KDM4EALDH1A1
SCHEMBL23841329 0.66 P2RX7 (0.39) P2RX7KDM4EALDH1A1
SCHEMBL27760504 0.65 C5AR1 (0.32) C5AR1P2RX7
SCHEMBL76711 0.64 DAO (0.36) PARP1ALDH1A1
SCHEMBL76308 0.64 GAA (0.53) KDM4EALDH1A1
SCHEMBL20355248 0.62 P2RX7 (0.43) P2RX7ALDH1A1

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 C5AR1 4201/4885P2RX7 4335/4885ITGB1 1501/4885

“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.