SCHEMBL1406669

SCHEMBL1406669

CCOCc1c(C(=O)O)cnn1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.41
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
GPR142 Q7Z601 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM3B Q7LBC6 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32

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
SCHEMBL1407103 0.87 RAB9A (0.43) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1406916 0.85 NR4A3 (0.40) NR4A3KDM4EPOLBALDH1A1RAB9A
SCHEMBL1407182 0.85 NR4A3 (0.36) NR4A3KDM4EALDH1A1RAB9ANPC1
SCHEMBL3294253 0.83 NR4A3 (0.54) NR4A3KDM4EPOLBALDH1A1HPGD
SCHEMBL3293452 0.82 NR4A3 (0.35) NR4A3
SCHEMBL3293045 0.81 NR4A3 (0.38) NR4A3KDM4EALDH1A1RAB9ANPC1
SCHEMBL3291164 0.80 NR4A3 (0.44) NR4A3KDM4EPOLBALDH1A1RAB9A
SCHEMBL14413274 0.78 NR4A3 (0.42) NR4A3KDM4EPOLBALDH1A1RAB9A
SCHEMBL10365996 0.78 NR4A3 (0.42) NR4A3KDM4EPOLBALDH1A1RAB9A
SCHEMBL3293316 0.77 NR4A3 (0.38) NR4A3KDM4EALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP claimed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US 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
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US claimed
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 NR4A3 2221/4885KDM4E 2951/4885POLB 1549/4885

“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.