SCHEMBL1406557

SCHEMBL1406557

O=C(O)c1cnn(C2CCOCC2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.43
KDM4C Q9H3R0 3/20 0.40
PDE4D Q08499 1/20 0.40
HSD11B1 P28845 1/20 0.39
PDE1C Q14123 4/20 0.39
PDE1A P54750 3/20 0.39
PDE1B Q01064 3/20 0.39
LRRK2 Q5S007 1/20 0.38
HTT P42858 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.36
PDE9A O76083 1/20 0.36
SERPINE1 P05121 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
SCHEMBL1406946 0.89 KEAP1 (0.40) NR3C1HSD11B1LRRK2
SCHEMBL4718010 0.87 PDE4B (0.45) PDE4D
SCHEMBL1407004 0.86 HCAR3 (0.38) NR3C1KDM4CHSD11B1
SCHEMBL1407026 0.86 CNR2 (0.39) NR3C1KDM4CHSD11B1
SCHEMBL1406962 0.84 CNR2 (0.41) NR3C1KDM4CHSD11B1S1PR1
SCHEMBL1406919 0.83 LRRK2 (0.37) NR3C1HSD11B1LRRK2
SCHEMBL1406924 0.83 LRRK2 (0.37) NR3C1HSD11B1LRRK2
SCHEMBL4717587 0.82 HSD11B1 (0.41) HSD11B1
SCHEMBL22684184 0.82 TRPV4 (0.46) KDM4CHSD11B1PDE1CPDE1APDE1B
SCHEMBL1406858 0.80 PDE4B (0.48) PDE4D

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 6 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-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
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 NR3C1 553/4885KDM4C 3911/4885PDE4D 807/4885

“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.