SCHEMBL76975

SCHEMBL76975

N#CC1(N)CCCN(Cc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.52
OPRM1 P35372 1/20 0.51
TSHR P16473 7/20 0.46
CYP3A4 P08684 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3893581 0.91 OPRM1 (0.57) CYP2D6OPRM1TSHRCYP3A4ALDH1A1
SCHEMBL5357078 0.84 OPRM1 (0.51) CYP2D6OPRM1TSHRCYP3A4ALDH1A1
SCHEMBL1587072 0.81 OPRM1 (0.65) CYP2D6OPRM1TSHRCYP3A4ALDH1A1
SCHEMBL24536218 0.80 CYP2D6 (0.50) CYP2D6OPRM1TSHRCYP3A4SMN1; SMN2
SCHEMBL3495380 0.79 CYP2D6 (0.52) CYP2D6OPRM1TSHRCYP3A4SMN1; SMN2
SCHEMBL7500958 0.77 CYP2D6 (0.56) CYP2D6TSHRCYP3A4ALDH1A1SIGMAR1
SCHEMBL5363319 0.77 SMN1; SMN2 (0.56) OPRM1SMN1; SMN2SIGMAR1
SCHEMBL9232577 0.76 CYP2D6 (0.50) CYP2D6OPRM1TSHRCYP3A4SMN1; SMN2
SCHEMBL75789 0.76 CYP2D6 (0.55) CYP2D6TSHRCYP3A4ALDH1A1SIGMAR1
SCHEMBL9231201 0.75 CYP2D6 (0.48) CYP2D6OPRM1TSHRCYP3A4SMN1; SMN2

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 6 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
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 CYP2D6 124/4885OPRM1 3899/4885TSHR 2079/4885

“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.