SCHEMBL3928872

SCHEMBL3928872

COC(c1ccc(NC(=O)C(C)(C)C)nc1C)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.38
ADORA1 P30542 3/20 0.34
TMIGD3 P0DMS9 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CSF1R P07333 2/20 0.34
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
BRAF P15056 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
KDR P35968 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
SCHEMBL3928437 0.79 FFAR4 (0.40) HTR1FADORA1TMIGD3CYP2C9CYP1A2
SCHEMBL3928471 0.77 GRIN2B (0.43) HTR1FCYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3934623 0.69 BRD4 (0.38) SMN1; SMN2HTTTP53
SCHEMBL3931051 0.69 SMN1; SMN2 (0.37) SMN1; SMN2HTT
SCHEMBL3923797 0.69 L3MBTL1 (0.39) HTR1FADORA1CYP2C9CYP1A2CYP3A4
SCHEMBL759004 0.68 L3MBTL1 (0.44) HTR1FADORA1CYP2C9CYP1A2CYP3A4
SCHEMBL3923726 0.68 RAB9A (0.56) CYP2C9CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL124461 0.68 GRM5 (0.47) HTR1FADORA1CYP2C9CYP1A2CYP3A4
SCHEMBL3928871 0.68 HTR1F (0.38) HTR1FADORA1TMIGD3CYP2C9CYP1A2
SCHEMBL3923609 0.67 L3MBTL1 (0.43) HTR1FADORA1CYP2C9CYP1A2CYP3A4

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 HTR1F 643/4885ADORA1 1752/4885TMIGD3 4105/4885

“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.