SCHEMBL3935296

SCHEMBL3935296

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.39
NR3C2 P08235 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4171284 0.86 CHRNB2 (0.51) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3925148 0.86 ADORA1 (0.44) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL317679 0.84 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL317651 0.84 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21211527 0.84 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10278878 0.84 ADORA1 (0.43) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL921576 0.83 L3MBTL1 (0.54) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL124547 0.82 CYP1A2 (0.44) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14353104 0.82 RAB9A (0.55) SMN1; SMN2MEN1KMT2ARAB9AGRM5
SCHEMBL10691212 0.81 SMN1; SMN2 (0.41) 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.