SCHEMBL1407182

SCHEMBL1407182

CC(C)COCc1c(C(=O)O)cnn1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.36
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 2/20 0.32
ELANE P08246 1/20 0.32
DHODH Q02127 1/20 0.31
KDM6B O15054 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL1406669 0.85 NR4A3 (0.41) NR4A3NPC1RAB9AKDM4EALDH1A1
SCHEMBL3293045 0.83 NR4A3 (0.38) NR4A3NPC1RAB9AKDM4EALDH1A1
SCHEMBL1406916 0.81 NR4A3 (0.40) NR4A3NPC1RAB9AKDM4EMAPT
SCHEMBL3293452 0.79 NR4A3 (0.35) NR4A3
SCHEMBL3294253 0.76 NR4A3 (0.54) NR4A3NPC1RAB9AKDM4EMAPT
SCHEMBL14413274 0.75 NR4A3 (0.42) NR4A3NPC1RAB9AKDM4EMAPT
SCHEMBL10365996 0.75 NR4A3 (0.42) NR4A3NPC1RAB9AKDM4EMAPT
SCHEMBL3291164 0.74 NR4A3 (0.44) NR4A3NPC1RAB9AKDM4EMAPT
SCHEMBL3293316 0.73 NR4A3 (0.38) NR4A3NPC1RAB9AKDM4EMAPT
SCHEMBL10368484 0.73 NR4A3 (0.40) NR4A3NPC1RAB9AKDM4EMAPT

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 NR4A3 2221/4885NPC1 856/4885RAB9A 1814/4885

“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.