SCHEMBL706532

SCHEMBL706532

CC(C)(C)OC(=O)N1CCCC1(CC1CC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.35
CTSK P43235 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK3 P52333 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
SCHEMBL443907 0.85 MEN1 (0.37) CHRM2CHRM1CHRM3SMN1; SMN2NR1H2
SCHEMBL19614453 0.83 GRIN2B (0.39) CHRM2CHRM1CHRM3SMN1; SMN2NR1H2
SCHEMBL15924562 0.83 GRIN2B (0.39) CHRM2CHRM1CHRM3SMN1; SMN2NR1H2
SCHEMBL19614479 0.83 GRIN2B (0.39) CHRM2CHRM1CHRM3SMN1; SMN2NR1H2
SCHEMBL992635 0.82 GRIN2B (0.39) CHRM2CHRM1CHRM3SMN1; SMN2GRIN2B
SCHEMBL14343716 0.81 GRIN2B (0.40) CHRM2CHRM1CHRM3SMN1; SMN2GRIN2B
SCHEMBL14343714 0.81 GRIN2B (0.40) CHRM2CHRM1CHRM3SMN1; SMN2GRIN2B
SCHEMBL441984 0.79 SMN1; SMN2 (0.38) CHRM2CHRM1CHRM3SMN1; SMN2GRIN2B
SCHEMBL7264298 0.78 GRIN2B (0.37) CHRM2CHRM1CHRM3SMN1; SMN2GRIN2B
SCHEMBL15665671 0.78 GRIN2B (0.39) CHRM2CHRM1CHRM3SMN1; SMN2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 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-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 CHRM2 4419/4885CHRM1 3330/4885CHRM3 4503/4885

“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.