SCHEMBL2023571

SCHEMBL2023571

CC(C(=O)NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.53
HSD11B2 P80365 2/20 0.53
TSHR P16473 2/20 0.51
GAA P10253 2/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.45
USP2 O75604 2/20 0.45
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL233175 1.00 HSD11B1 (0.53) HSD11B1HSD11B2TSHRGAAHTT
SCHEMBL6336040 0.88 TSHR (0.56) TSHRGAAHTTKDM4EUSP2
SCHEMBL2827507 0.87 TSHR (0.42) HSD11B1HSD11B2TSHRGAAHTT
SCHEMBL2827508 0.87 TSHR (0.42) HSD11B1HSD11B2TSHRGAAHTT
SCHEMBL232849 0.80 HSD11B1 (0.54) HSD11B1HSD11B2HTTALDH1A1NPSR1
SCHEMBL2827513 0.79 TSHR (0.42) TSHRGAAHTTKDM4EUSP2
SCHEMBL2826625 0.78 TSHR (0.40) TSHRGAAHTTKDM4EUSP2
SCHEMBL231438 0.78 HSD11B1 (0.61) HSD11B1HSD11B2ALDH1A1
SCHEMBL231998 0.76 HSD11B1 (0.70) HSD11B1HSD11B2EPHX2
SCHEMBL230189 0.75 HSD11B1 (0.63) HSD11B1HSD11B2EPHX2

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 18 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 claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US claimed
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. (US) 2013-12-19 US claimed
US-20130059829-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBVIE INC. 2013-03-07 US claimed
EP-2345640-A1 Adamantyl- acetamide derivatives as inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme Abbott Laboratories (US) 2011-07-20 EP claimed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US claimed
US-20100152179-A9 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2010-06-17 US claimed
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2009-07-30 US claimed
US-20090054426-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 US claimed
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC. 2005-12-15 US claimed
US-9464072-B2 Treatment of central nervous system disorders ABBVIE INC. (US) 2016-10-11 US disclosed
US-20150099740-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES 2015-04-09 US disclosed
US-8940902-B2 Treatment of central nervous system disorders ABBVIE INC. (US) 2015-01-27 US disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-20130059829-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBVIE INC. 2013-03-07 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20100152179-A9 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2010-06-17 US disclosed
US-20090054426-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 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 (8 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-20100152179-A9 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885TSHR 3205/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885TSHR 2485/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885TSHR 2485/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885TSHR 3239/4885
US-20090054426-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885TSHR 3205/4885
US-20150099740-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885TSHR 3205/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885TSHR 3534/4885
US-20130059829-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885TSHR 3205/4885

“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.