SCHEMBL75193

SCHEMBL75193

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.47
OPRL1 P41146 8/20 0.47
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
BCAT2 O15382 1/20 0.36
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP15 Q460N3 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
F10 P00742 2/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL77835 0.89 ALDH1A1 (0.43) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL76802 0.82 ALDH1A1 (0.43) OPRM1OPRL1
SCHEMBL76732 0.67 L3MBTL1 (0.43) OPRM1OPRL1
SCHEMBL4874626 0.66 PARP10 (0.49) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL75015 0.64 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL74850 0.64 BCAT2 (0.40) OPRM1OPRL1BCAT2OPRD1OPRK1
Terephthalamide SCHEMBL197479 0.63 PARP1 (0.60) PARP10PARP15F2
Terephthalamide SCHEMBL12613686 0.63 PARP1 (0.60) PARP10PARP15F2
Terephthalamide SCHEMBL472214 0.63 PARP1 (0.60) PARP10PARP15F2
SCHEMBL6426405 0.62 CYP2C9 (0.40) OPRM1BCAT2OPRD1OPRK1PARP10

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 OPRM1 3899/4885OPRL1 4158/4885ITGB3 2935/4885

“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.