SCHEMBL1406962

SCHEMBL1406962

O=C(O)c1cnn(C2CCCCC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
HSD11B1 P28845 2/20 0.40
NR3C1 P04150 5/20 0.40
HCAR3 P49019 2/20 0.40
GRM1 Q13255 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CNR1 P21554 1/20 0.36
ASPH Q12797 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
KDM8 Q8N371 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL1407026 0.98 CNR2 (0.39) CNR2HSD11B1NR3C1HCAR3GRM1
SCHEMBL1407004 0.95 HCAR3 (0.38) CNR2HSD11B1NR3C1HCAR3KEAP1
SCHEMBL1406946 0.92 KEAP1 (0.40) HSD11B1NR3C1HCAR3KEAP1NFE2L2
SCHEMBL1406924 0.86 LRRK2 (0.37) HSD11B1NR3C1HCAR3KEAP1NFE2L2
SCHEMBL1406919 0.86 LRRK2 (0.37) HSD11B1NR3C1HCAR3KEAP1NFE2L2
SCHEMBL1406557 0.84 NR3C1 (0.43) HSD11B1NR3C1KDM4CS1PR1
SCHEMBL17110193 0.82 HSD11B1 (0.40) HSD11B1NR3C1KEAP1NFE2L2KDM4E
SCHEMBL6052465 0.81 TRPV4 (0.45) CNR2HSD11B1NR3C1HCAR3KDM4E
SCHEMBL27737776 0.81 HSD11B1 (0.40) CNR2HSD11B1HCAR3KEAP1NFE2L2
SCHEMBL27758267 0.79 ALOX15 (0.41) HSD11B1HCAR3KEAP1NFE2L2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101405270-B Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE 2013-01-16 CN claimed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP claimed
CN-101405270-A Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE (CH) 2009-04-08 CN claimed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP claimed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO claimed
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
CN-101405270-B Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE 2013-01-16 CN 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
CN-101405270-A Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP 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

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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 CNR2 2639/4885HSD11B1 6/4885NR3C1 553/4885

“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.