SCHEMBL76604

SCHEMBL76604

CNC(C)(C#N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.48
CYP2D6 P10635 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.37
SGMS2 Q8NHU3 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL9806662 0.84 CYP2D6 (0.40) KCNN4CYP2D6DRD2DRD4OPRM1
SCHEMBL28059566 0.76 ALDH1A1 (0.38) KCNN4CYP2D6DRD2DRD4OPRM1
SCHEMBL10640599 0.76 NR3C2 (0.46) KCNN4CYP2D6DRD2DRD4OPRM1
SCHEMBL28745520 0.75 CYP3A4 (0.44) KCNN4CYP2D6DRD2DRD4OPRM1
SCHEMBL27803999 0.75 HDAC3 (0.42) KCNN4MAPK1TSHRCYP3A4ALDH1A1
SCHEMBL7030622 0.74 MAPK1 (0.46) KCNN4CYP2D6DRD2DRD4OPRM1
SCHEMBL10823645 0.74 KDM4E (0.45) CYP2D6DRD2DRD4OPRM1DRD3
SCHEMBL23467881 0.72 CA2 (0.50)
SCHEMBL1021158 0.72 GRM1 (0.49) KCNN4CYP2D6DRD2DRD4OPRM1
SCHEMBL5875525 0.72 MAPK1 (0.44) KCNN4CYP2D6DRD2DRD4OPRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553474-B Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes HOFFMANN LA ROCHE 2013-02-27 CN disclosed
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
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN 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 4571/4885CYP2D6 124/4885DRD2 2764/4885

“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.