SCHEMBL75956

SCHEMBL75956

COC(=O)C(N)(c1ccccc1)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
KCNN4 O15554 1/20 0.56
SRC P12931 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MAPT P10636 2/20 0.40
KIF11 P52732 3/20 0.40
CES1 P23141 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL29576594 0.84 KCNN4 (0.55) CYP1A2CYP2D6KCNN4SRCKMT2A
SCHEMBL2454501 0.81 CYP1A2 (1.00) CYP1A2CYP2D6KCNN4KMT2AMAPT
SCHEMBL2454503 0.81 CYP1A2 (1.00) CYP1A2CYP2D6KCNN4KMT2AMAPT
SCHEMBL4989116 0.79 CYP2D6 (0.75) CYP1A2CYP2D6KCNN4KMT2AMAPT
SCHEMBL8248737 0.79 CYP1A2 (0.58) CYP1A2CYP2D6KMT2AMEN1CYP2C19
SCHEMBL27564046 0.78 KCNN4 (0.60) CYP1A2CYP2D6KCNN4SRCKMT2A
Hydrochloric Acid SCHEMBL8253994 0.78 CYP2D6 (0.57) CYP1A2CYP2D6KMT2AMEN1MAPT
SCHEMBL27506829 0.77 KCNN4 (0.64) CYP1A2CYP2D6KCNN4SRCKMT2A
SCHEMBL10717791 0.76 KCNN4 (0.58) CYP1A2CYP2D6KCNN4SRCKMT2A
SCHEMBL4222858 0.76 KCNN4 (0.58) CYP1A2CYP2D6KCNN4SRCKMT2A

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 CYP1A2 67/4885CYP2D6 124/4885KCNN4 4571/4885

“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.