SCHEMBL231544

SCHEMBL231544

ClCc1ccc2c(c1CCl)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.45
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NQO2 P16083 2/20 0.33
CYP3A4 P08684 2/20 0.32
CYP19A1 P11511 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
BAD Q92934 1/20 0.31

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
SCHEMBL25844882 0.81 AOC3 (0.42) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL25844868 0.81 AOC3 (0.63) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL506350 0.73 EED (0.46) ABCG2ALDH1A1HSD17B10HTR2AHTR2C
SCHEMBL232439 0.72 AOC3 (0.49) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL1045560 0.69 L3MBTL1 (0.36) ALDH1A1
SCHEMBL12593453 0.69 AOC3 (0.44) AOC3TXNRD1TXNRD3TXNRD2NQO2
SCHEMBL231938 0.68 AOC3 (0.41) AOC3TXNRD1TXNRD3TXNRD2ABCG2
SCHEMBL11778032 0.68 AOC3 (0.45) AOC3TXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL14370481 0.67 AOC3 (0.42) AOC3TXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL11086762 0.67 AOC3 (0.65) AOC3TXNRD1TXNRD3TXNRD2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133145-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-09-15 US disclosed
EP-1751108-B1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC (US) 2014-07-30 EP disclosed
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. (US) 2013-12-19 US disclosed
US-8415354-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-04-09 US disclosed
US-8372841-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-02-12 US disclosed
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. 2012-01-05 US disclosed
EP-2345640-A1 Adamantyl- acetamide derivatives as inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7880001-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-02-01 US disclosed
US-20100222316-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2010-09-02 US disclosed
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2009-07-30 US disclosed
EP-1751108-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC. 2005-12-15 US disclosed
WO-2005108368-A1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2005-11-17 WO 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 (5 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-20100222316-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 AOC3 3565/4885TXNRD1 1315/4885TXNRD3 1154/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 AOC3 1791/4885TXNRD1 1101/4885TXNRD3 846/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 AOC3 1791/4885TXNRD1 1101/4885TXNRD3 846/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 AOC3 3565/4885TXNRD1 1315/4885TXNRD3 1154/4885
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 AOC3 3565/4885TXNRD1 1315/4885TXNRD3 1154/4885

“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.