SCHEMBL234859

SCHEMBL234859

Brc1ccc(N2CC3CNCC(C3)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 8/20 0.47
CHRNB2 P17787 7/20 0.47
CHRNB4 P30926 6/20 0.47
CHRNA3 P32297 6/20 0.47
CHRNA7 P36544 2/20 0.47
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
PDE10A Q9Y233 1/20 0.40
AKR1C3 P42330 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL930487 0.84 CHRNA7 (0.47) CHRNA4CHRNB2CHRNA7GRIN2DGRIN3B
SCHEMBL23253050 0.81 CHRNB2 (0.47) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20071406 0.79 CHRNB4 (0.46) CHRNA4CHRNB2CHRNB4CHRNA3GRIN2D
SCHEMBL29782885 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17610078 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL23607827 0.78 CHRNB4 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3GRIN2D
Hydrochloric Acid SCHEMBL29535557 0.78 CHRNB4 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3GRIN2D
Hydrochloric Acid SCHEMBL25222660 0.78 CHRNB4 (0.45) CHRNA4CHRNB2CHRNB4CHRNA3GRIN2D
SCHEMBL21588445 0.76 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25686054 0.76 CNR2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 12 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
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC. 2005-12-15 US disclosed
US-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES 2005-11-03 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 (6 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 CHRNA4 3842/4885CHRNB2 3251/4885CHRNB4 3743/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 CHRNA4 1584/4885CHRNB2 909/4885CHRNB4 1246/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 CHRNA4 1584/4885CHRNB2 909/4885CHRNB4 1246/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 CHRNA4 3842/4885CHRNB2 3251/4885CHRNB4 3743/4885
US-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 CHRNA4 3842/4885CHRNB2 3251/4885CHRNB4 3743/4885
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 CHRNA4 3842/4885CHRNB2 3251/4885CHRNB4 3743/4885

“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.