SCHEMBL3934799

SCHEMBL3934799

Nc1cccc(COCC(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38
APP P05067 1/20 0.37
MCHR1 Q99705 1/20 0.37
NOS2 P35228 4/20 0.37
NOS1 P29475 3/20 0.37
ALDH1A1 P00352 2/20 0.36
NOS3 P29474 2/20 0.34
KCNH2 Q12809 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
PIK3CA P42336 1/20 0.33
TACR1 P25103 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL3927456 0.83 MCHR1 (0.48) BACE1APPMCHR1NOS2NOS1
SCHEMBL14842160 0.80 KCNH2 (0.42) BACE1APPMCHR1NOS2NOS1
SCHEMBL5187753 0.79 ALDH1A1 (0.36) ALDH1A1KCNH2
SCHEMBL31508058 0.76 BACE1 (0.42) BACE1APPMCHR1NOS2NOS1
SCHEMBL16398534 0.75 NUDT1 (0.42) NOS2ALDH1A1NOS3PIK3CA
SCHEMBL3928241 0.74 MAOB (0.53) KCNH2
SCHEMBL1556910 0.74 BACE1 (0.43) BACE1APPNOS2NOS1NOS3
SCHEMBL3934245 0.73 IDO1 (0.43) BACE1KCNH3
SCHEMBL29496093 0.73 NOS1 (0.43) BACE1APPMCHR1NOS2NOS1
SCHEMBL3926397 0.72 MCHR1 (0.49) BACE1APPMCHR1NOS1NOS3

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 BACE1 797/4885APP 2113/4885MCHR1 2144/4885

“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.