SCHEMBL4370004

SCHEMBL4370004

CN(Nc1cc(C#N)ccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
AAK1 Q2M2I8 1/20 0.38
MAP2K1 Q02750 3/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
NCEH1 Q6PIU2 2/20 0.37
ABCB1 P08183 3/20 0.36
ACLY P53396 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL4369647 0.82 MAPT (0.42) ACLY
SCHEMBL15739513 0.80 MAPT (0.41) EGLN2GPR119TRPA1
SCHEMBL4365064 0.79 MEN1 (0.44) CYP11B1CYP11B2
SCHEMBL4366449 0.75 PDK1 (0.46) PDK1PDK2PDK3PDK4
SCHEMBL4364572 0.73 EGLN2 (0.42) EGLN2GPR119AAK1ABCB1TRPA1
SCHEMBL4367560 0.73 RIPK1 (0.40) GPR119AAK1PDK1PDK2PDK3
SCHEMBL29582812 0.72 EGLN2 (0.53) EGLN2GPR119MAP2K1PDK1PDK2
SCHEMBL7282461 0.72 EPHX2 (0.45) GPR119TRPA1
SCHEMBL5846315 0.72 FFAR1 (0.41) EGLN2GPR119ABCB1TRPA1
SCHEMBL4367694 0.71 LMNA (0.40)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 EP disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 US disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 EGLN2 961/4885GPR119 101/4885AAK1 2297/4885

“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.