SCHEMBL75620

SCHEMBL75620

COC(=O)C(N)(c1cccc(F)c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.45
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 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
SCHEMBL75349 0.82 KCNN4 (0.53) KCNN4CHRM3CHRM2CYP1A2
SCHEMBL4238414 0.78 CHRM3 (0.47) KCNN4CHRM3CHRM2NPC1RAB9A
SCHEMBL2482101 0.75 KCNN4 (0.53) KCNN4EDNRBEDNRANPC1RAB9A
SCHEMBL30680657 0.74 KCNN4 (0.50) KCNN4EDNRBEDNRANPC1RAB9A
SCHEMBL29149898 0.74 KCNN4 (0.50) KCNN4EDNRBEDNRANPC1RAB9A
SCHEMBL3173332 0.74 KCNN4 (0.50) KCNN4EDNRBEDNRANPC1RAB9A
SCHEMBL21635120 0.74 KCNN4 (0.50) KCNN4EDNRBEDNRANPC1RAB9A
SCHEMBL10335028 0.73 KCNN4 (0.49) KCNN4EDNRBEDNRANPC1RAB9A
SCHEMBL31612954 0.73 KCNN4 (0.49) KCNN4EDNRBEDNRANPC1RAB9A
SCHEMBL21659309 0.73 KCNN4 (0.49) KCNN4EDNRBEDNRANPC1RAB9A

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
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
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO 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 KCNN4 4571/4885EDNRB 1848/4885EDNRA 2102/4885

“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.