SCHEMBL76802

SCHEMBL76802

CCOC(=O)c1ccc(N2CC3(CCCCCC3)N(C3CC3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HSP90AA1 P07900 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL76936 0.78 ALDH1A1 (0.49) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL25281107 0.72 HTT (0.51) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL25229614 0.70 L3MBTL1 (0.64) ALDH1A1HTTHPGDNPSR1HSP90AA1
Cyclohexane SCHEMBL2917907 0.69 CA1 (0.73) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL25276427 0.69 HTT (0.50) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL8915003 0.68 HTT (0.52) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL25236156 0.68 PKM (0.62) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL6132930 0.68 HPGD (0.51) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL14687481 0.68 MAPK1 (0.61) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL16377544 0.68 SMN1; SMN2 (0.53) ALDH1A1HTTHPGDNPSR1HSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 97/4885HTT 3436/4885HPGD 116/4885

“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.