SCHEMBL3928469

SCHEMBL3928469

CC(C)(C)C(=O)Nc1ccc(COCC2CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40
KDR P35968 1/20 0.38
CSF1R P07333 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
DEGS1 O15121 2/20 0.36
RET P07949 1/20 0.36
CNR2 P34972 1/20 0.35
CA2 P00918 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
SCHEMBL3923988 0.80 ALDH1A1 (0.46) GRIN2BNPC1RAB9APAX8KLF5
SCHEMBL3928871 0.77 HTR1F (0.38) NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL3923056 0.76 RAB9A (0.48) GRIN2BNPC1RAB9APAX8KLF5
SCHEMBL2033050 0.76 DEGS1 (0.51) GRIN2BNPC1RAB9APAX8KLF5
SCHEMBL3928435 0.76 ADORA2A (0.43) CNR2
SCHEMBL5346957 0.75 MAPT (0.48) NPC1RAB9APAX8KLF5ALDH1A1
SCHEMBL18291838 0.74 RAB9A (0.47) GRIN2BNPC1RAB9APAX8KLF5
SCHEMBL3925763 0.74 KDR (0.47) GRIN2BNPC1RAB9APAX8KLF5
SCHEMBL5343691 0.74 RAB9A (0.47) GRIN2BNPC1RAB9APAX8KLF5
SCHEMBL2611194 0.74 RAB9A (0.47) GRIN2BNPC1RAB9APAX8KLF5

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 GRIN2B 1237/4885NPC1 682/4885RAB9A 2530/4885

“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.