SCHEMBL3928437

SCHEMBL3928437

COC(c1cccc(NC(=O)C(C)(C)C)n1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
HPGD P15428 1/20 0.39
ADORA1 P30542 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1F P30939 1/20 0.36
BRAF P15056 1/20 0.36
TSHR P16473 1/20 0.36
KDR P35968 1/20 0.36
TMIGD3 P0DMS9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL3928872 0.79 HTR1F (0.38) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5474017 0.77 SMN1; SMN2 (0.45) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL966489 0.76 SMN1; SMN2 (0.44) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6484229 0.76 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3928471 0.75 GRIN2B (0.43) CYP1A2CYP3A4CYP2C9CYP2C19HTR1F
SCHEMBL964808 0.74 SMN1; SMN2 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL921576 0.74 L3MBTL1 (0.54) HPGDADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL2144204 0.74 IRAK4 (0.37) HPGDADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3926296 0.73 FFAR4 (0.43) FFAR4IRAK4
SCHEMBL6027438 0.72 ADORA1 (0.54) HPGDADORA1CYP1A2CYP3A4CYP2C9

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 FFAR4 743/4885HPGD 147/4885ADORA1 1752/4885

“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.