SCHEMBL76388

SCHEMBL76388

Cc1cn(Cc2ccccc2C(F)(F)F)c(=O)n1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 18/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM1 P11229 1/20 0.43

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
SCHEMBL74636 0.84 P2RX7 (0.39) C5AR1CHRM1
SCHEMBL20818003 0.67 MKNK1 (0.46) C5AR1KDM4EALDH1A1
SCHEMBL12143801 0.64 KDM4E (0.48) C5AR1KDM4EALDH1A1
SCHEMBL12142176 0.64 KDM4E (0.47) C5AR1KDM4EALDH1A1
SCHEMBL7000103 0.63 ALDH1A1 (0.53) KDM4EALDH1A1
SCHEMBL24719122 0.63 KMT2A (0.48) C5AR1KDM4EALDH1A1
SCHEMBL3176824 0.63 PTGS1 (0.56) KDM4EALDH1A1
SCHEMBL3706462 0.62 KMT2A (0.66) KDM4EALDH1A1
SCHEMBL28575927 0.62 EPHX2 (0.49) C5AR1KDM4EALDH1A1CHRM1
SCHEMBL16053109 0.62 ALDH1A1 (0.68) ALDH1A1

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 4201/4885KDM4E 1757/4885ALDH1A1 97/4885

“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.