SCHEMBL75319

SCHEMBL75319

O=C(CO)NC12CC3CC(C1)C(N1CC4(Cc5ccccc5C4)NC1=O)C(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
PSMB5 P28074 1/20 0.40
ALDH1A1 P00352 7/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KMT2A Q03164 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 3/20 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
SCHEMBL76313 0.92 CNR2 (0.41) CNR2PSMB5ALDH1A1GAAHPGD
SCHEMBL4259160 0.88 CNR2 (0.40) CNR2PSMB5ALDH1A1HPGDMAPT
SCHEMBL73719 0.88 CNR2 (0.40) CNR2PSMB5ALDH1A1HPGDMAPT
SCHEMBL75817 0.88 CNR2 (0.40) CNR2PSMB5ALDH1A1HPGDMAPT
SCHEMBL4253053 0.88 CNR2 (0.40) CNR2PSMB5ALDH1A1HPGDMAPT
SCHEMBL4255753 0.82 CNR2 (0.34) CNR2ALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL4079042 0.81 ESR1 (0.39) CNR2ALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL4253794 0.80 PSMB5 (0.41) CNR2PSMB5ALDH1A1GAAHPGD
SCHEMBL76747 0.80 PSMB5 (0.41) CNR2PSMB5ALDH1A1GAAHPGD
SCHEMBL75517 0.80 PSMB5 (0.41) CNR2PSMB5ALDH1A1GAAHPGD

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 CNR2 3964/4885PSMB5 3460/4885ALDH1A1 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.