SCHEMBL1406898

SCHEMBL1406898

COC(OC)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.47
NFKB1 P19838 1/20 0.39
QPCT Q16769 1/20 0.39
HSD17B10 Q99714 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
CYP17A1 P05093 4/20 0.38
CYP26A1 O43174 1/20 0.36
KMT2A Q03164 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
SCHEMBL28798620 0.84 CYP19A1 (0.40) CYP19A1NFKB1QPCTHSD17B10QPCTL
SCHEMBL10586870 0.81 CYP19A1 (0.38) CYP19A1NFKB1QPCTHSD17B10QPCTL
SCHEMBL425206 0.79
SCHEMBL11052688 0.76 CYP19A1 (0.43) CYP19A1NFKB1QPCTHSD17B10QPCTL
SCHEMBL57725 0.76 CYP19A1 (0.40) CYP19A1NFKB1QPCTHSD17B10QPCTL
SCHEMBL14344708 0.74 CYP19A1 (0.42) CYP19A1CYP17A1
SCHEMBL26793524 0.73 CYP19A1 (0.41) CYP19A1CYP17A1CYP26A1KMT2A
SCHEMBL86131 0.72
SCHEMBL459642 0.72 CYP19A1 (0.48) CYP19A1NFKB1QPCTHSD17B10QPCTL
SCHEMBL5910845 0.71 CYP19A1 (0.44) CYP19A1NFKB1QPCTHSD17B10QPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109554396-B Imidazole derivative and gene delivery system thereof 复旦大学 2023-03-17 CN 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
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
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
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 CYP19A1 39/4885NFKB1 3195/4885QPCT 1967/4885
US-20060223852-A1 Pyrazoles GPR119, PDK2, PC CYP19A1 283/4885NFKB1 2998/4885QPCT 1354/4885

“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.