SCHEMBL3076216

SCHEMBL3076216

O=C(O)c1cnn(-c2ccccc2)c1NCCO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPK14 Q16539 2/20 0.47
MAPK1 P28482 1/20 0.46
RIPK2 O43353 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.44

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
SCHEMBL3077126 0.92 NR4A3 (0.51) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL3082725 0.91 NR4A3 (0.50) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL1334269 0.84 NR4A3 (0.62) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL3062669 0.83 HPGD (0.56) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL3070766 0.82 NR4A3 (0.50) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL3057694 0.80 KEAP1 (0.56) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL3066180 0.80 NR4A3 (0.53) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL3519865 0.79 NR4A3 (0.59) NR4A3SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL3070631 0.79 HSD11B1 (0.55)
SCHEMBL13789663 0.79 ALDH1A1 (0.72) NR4A3SMN1; SMN2L3MBTL1POLBMAPT

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
CN-101743226-B Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2012-10-10 CN claimed
CN-101743226-A Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2010-06-16 CN claimed
CN-101743226-B Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2012-10-10 CN disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
CN-101743226-A Inhibitors of 11beta-hydroxysteroid dehydrogenase HOFFMANN LA ROCHE 2010-06-16 CN disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 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-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 NR4A3 3233/4885SMN1; SMN2 2613/4885L3MBTL1 3753/4885

“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.