SCHEMBL1407142

SCHEMBL1407142

CCOC(=O)c1cnn(C)c1-n1cccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9911011 0.83 MAPT (0.58) SMN1; SMN2ALDH1A1TSHRKDM4EMAPT
SCHEMBL3771468 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL1406967 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL8573566 0.78 RAB9A (0.50) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL1406875 0.78 L3MBTL1 (0.59) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL1458129 0.76 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL4701434 0.76 RAB9A (0.49) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL12434763 0.76 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1TSHRKDM4EMAPT
SCHEMBL2317402 0.76 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1TSHRKDM4EMAPT
SCHEMBL1406834 0.76 NPC1 (0.49) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
EP-1928840-A1 1H-PYRAZOLE 4-CARBOXYLAMIDES, THEIR PREPARATION AND THEIR USE AS 11BETA-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2008-06-11 EP disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US disclosed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 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 (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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 SMN1; SMN2 3959/4885ALDH1A1 132/4885HPGD 71/4885
US-20060223852-A1 Pyrazoles GPR119, PDK2, PC SMN1; SMN2 3065/4885ALDH1A1 333/4885HPGD 661/4885

“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.