SCHEMBL3294253

SCHEMBL3294253

CCc1c(C(=O)O)cnn1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.54
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3291164 0.87 NR4A3 (0.44) NR4A3GABRPGABRDGABRA1GABRB1
SCHEMBL14413274 0.85 NR4A3 (0.42) NR4A3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL10365996 0.85 NR4A3 (0.42) NR4A3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL1406669 0.83 NR4A3 (0.41) NR4A3KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL10368484 0.82 NR4A3 (0.40) NR4A3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL1406916 0.82 NR4A3 (0.40) NR4A3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3293316 0.80 NR4A3 (0.38) NR4A3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3293045 0.79 NR4A3 (0.38) NR4A3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL574333 0.77 KDM4E (0.44) NR4A3GABRPGABRDGABRA1GABRB1
SCHEMBL4757065 0.77 NR4A3 (0.58) NR4A3GABRPGABRDGABRA1GABRB1

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 2221/4885GABRP 811/4885GABRD 476/4885

“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.