SCHEMBL3928435

SCHEMBL3928435

CC(C)(C)C(=O)Nc1cccc(COCC2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
FFAR4 Q5NUL3 1/20 0.41
HPGD P15428 1/20 0.38
GRM5 P41594 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 2/20 0.36
PDE5A O76074 2/20 0.36
HTR1F P30939 1/20 0.36
PTGIR P43119 1/20 0.35
NR3C2 P08235 1/20 0.35
CHRNB2 P17787 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
SCHEMBL3926058 0.89 HPGD (0.38) ADORA2AFFAR4HPGDCDK5CDK5R1
SCHEMBL124547 0.80 CYP1A2 (0.44) CDK5CDK5R1ADORA1CYP1A2CYP3A4
SCHEMBL3936895 0.80 JAK2 (0.39) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3928871 0.80 HTR1F (0.38) GRM5ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3925987 0.78 PDE5A (0.37) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3926995 0.77 GRM5 (0.44) GRM5CNR2NR3C2
SCHEMBL3926330 0.77 ITGB1 (0.47) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3925148 0.76 ADORA1 (0.44) GRM5CDK5CDK5R1ADORA1CYP1A2
SCHEMBL4171284 0.76 CHRNB2 (0.51) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3928469 0.76 GRIN2B (0.40) CNR2

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-7482341-B2 N-(pyridin-2-yl)-benzenesulfonamides; antidiabetic agents for Type II Diabetes; obesity; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-01-27 US disclosed
WO-2006037501-A9 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES HOFFMANN LA ROCHE (CH) 2007-08-02 WO disclosed
EP-1799647-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-27 EP disclosed
WO-2006037501-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. 2006-04-06 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-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD11B2 ADORA2A 3166/4885FFAR4 743/4885HPGD 147/4885

“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.