SCHEMBL3293045

SCHEMBL3293045

CC(C)OCc1c(C(=O)O)cnn1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.38
NPC1 O15118 3/20 0.33
TP53 P04637 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
PTPN1 P18031 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
SCHEMBL1406916 0.84 NR4A3 (0.40) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL1407182 0.83 NR4A3 (0.36) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL1406669 0.81 NR4A3 (0.41) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL3294253 0.79 NR4A3 (0.54) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL10365996 0.77 NR4A3 (0.42) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL14413274 0.77 NR4A3 (0.42) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL3291164 0.76 NR4A3 (0.44) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL3293452 0.76 NR4A3 (0.35) NR4A3LMNA
SCHEMBL3293316 0.75 NR4A3 (0.38) NR4A3NPC1TP53RAB9AKDM4E
SCHEMBL10368484 0.75 NR4A3 (0.40) NR4A3NPC1TP53RAB9AKDM4E

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 4 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
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 856/4885TP53 4415/4885

“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.