SCHEMBL77835

SCHEMBL77835

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.39
OPRM1 P35372 6/20 0.39
OPRL1 P41146 6/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
USP2 O75604 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
DDAH1 O94760 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL75193 0.89 OPRM1 (0.47) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL76802 0.83 ALDH1A1 (0.43) ALDH1A1OPRM1OPRL1USP2HPGD
SCHEMBL20898016 0.64 KDM4E (0.53) ALDH1A1EPHX2CA12CA1CA9
SCHEMBL2951118 0.63 CYP3A4 (0.54) ALDH1A1USP2HPGDSMN1; SMN2TSHR
SCHEMBL20340429 0.63 USP2 (0.41) ALDH1A1CA12CA1CA9USP2
SCHEMBL27737542 0.62 L3MBTL1 (0.76) ALDH1A1CA12CA1CA9USP2
SCHEMBL2951680 0.62 KDM4E (0.60) ALDH1A1USP2ITGB3ITGA2BNPC1
SCHEMBL16644311 0.62 ALDH1A1 (0.59) ALDH1A1CA12CA1CA9ITGB3
SCHEMBL900808 0.62 ESR1 (0.57) ALDH1A1CA12CA1CA9CA2
SCHEMBL9472582 0.62 ESR1 (0.57) ALDH1A1CA12CA1CA9CA2

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 97/4885EPHX2 3757/4885OPRM1 3899/4885

“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.