SCHEMBL4371076

SCHEMBL4371076

CC(C)(C)OC(=O)NNc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ CRHR1 P34998 2/20 0.48
▸ P2RX7 Q99572 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PDK1 Q15118 3/20 0.44
▸ PDK2 Q15119 3/20 0.44
▸ PDK3 Q15120 3/20 0.44
▸ PDK4 Q16654 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL31738171 0.85 NPC1 (0.44) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL22989775 0.84 GAA (0.46) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL30207788 0.83 PDK1 (0.54) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL3790475 0.83 PDK1 (0.54) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL16774987 0.82 GAA (0.52) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL15600324 0.82 GAA (0.56) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL6852142 0.82 GAA (0.61) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4365144 0.81 MAPT (0.53) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL31738180 0.81 MAPT (0.53) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL4365913 0.81 GAA (0.53) NPC1RAB9AMEN1KMT2AGAA

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 16 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
CN-101253155-B 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 HOFFMANN LA ROCHE 2011-11-09 — — CN 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
CN-101253155-A 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 HOFFMANN LA ROCHE (CH) 2008-08-27 — — CN 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
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 — — EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO 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 (2 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 NPC1 660/4885RAB9A 1776/4885MEN1 2676/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 NPC1 648/4885RAB9A 3002/4885MEN1 824/4885

“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.

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