SCHEMBL3934880

SCHEMBL3934880

Cc1nc(NC(=O)C(C)(C)C)ccc1COCCF

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 1/20 0.33
PDE10A Q9Y233 2/20 0.33
HTR1F P30939 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CNR2 P34972 2/20 0.32
SORT1 Q99523 1/20 0.32
GRM5 P41594 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3922917 0.86 SMN1; SMN2 (0.39) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3923797 0.83 L3MBTL1 (0.39) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3927299 0.82 LMNA (0.40) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL3928871 0.81 HTR1F (0.38) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3932619 0.78 L3MBTL1 (0.42) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL124461 0.75 GRM5 (0.47) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31623907 0.70 SORT1 (0.48) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3925981 0.69 NOS3 (0.41)
SCHEMBL3923726 0.69 RAB9A (0.56) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL759004 0.69 L3MBTL1 (0.44) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19

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-101035762-B Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE 2010-09-29 CN disclosed
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
CN-101035762-A Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2007-09-12 CN 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 ADORA1 1752/4885CYP1A2 112/4885CYP3A4 220/4885

“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.