SCHEMBL76308

SCHEMBL76308

COc1ccccc1-n1cc(CC(C)C)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HCAR1 Q9BXC0 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MGLL Q99685 1/20 0.41
MAPT P10636 2/20 0.40
EPHB4 P54760 2/20 0.39
APLNR P35414 1/20 0.37
HTR7 P34969 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.36
CASP6 P55212 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL74204 0.85 HCAR1 (0.46) GAAALDH1A1KDM4EHPGDHCAR1
SCHEMBL7681849 0.81 GAA (0.53) GAAALDH1A1HCAR1MEN1KMT2A
SCHEMBL76711 0.73 DAO (0.36) ALDH1A1HCAR1
SCHEMBL11253505 0.70 L3MBTL1 (0.60) GAAALDH1A1KDM4EHCAR1MEN1
SCHEMBL75797 0.67 USP2 (0.37) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL6492929 0.66 APLNR (0.45) GAAALDH1A1APLNR
SCHEMBL878976 0.65 IDO1 (0.53) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL6757704 0.65 MGLL (0.47) GAAALDH1A1KDM4EHPGDHCAR1
SCHEMBL4087939 0.65 MGLL (0.41) GAAALDH1A1KDM4EHPGDHCAR1
SCHEMBL3975023 0.65 MGLL (0.55) GAAALDH1A1KDM4EHPGDMEN1

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 GAA 3162/4885ALDH1A1 97/4885KDM4E 1757/4885

“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.