SCHEMBL234980

SCHEMBL234980

CC(C)(C(=O)NC1C2CC3CC1CC(C(=O)NCc1ccco1)(C3)C2)N1CCCC(F)(F)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.44
HSD11B1 P28845 13/20 0.42
HSD11B2 P80365 9/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL2827106 0.89 POLB (0.47) POLBKMT2ATSHRALDH1A1NPC1
SCHEMBL2827101 0.89 POLB (0.47) POLBKMT2ATSHRALDH1A1NPC1
SCHEMBL230770 0.85 HSD11B1 (0.59) KMT2AALDH1A1HSD11B1HSD11B2EPHX2
SCHEMBL233553 0.85 HSD11B1 (0.59) KMT2AALDH1A1HSD11B1HSD11B2EPHX2
SCHEMBL234291 0.83 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL231718 0.83 HSD11B1 (0.59) ALDH1A1HSD11B1HSD11B2
SCHEMBL234607 0.82 HSD11B1 (0.45) KMT2AALDH1A1HSD11B1HSD11B2
SCHEMBL233817 0.80 HSD11B1 (0.49) KMT2AHSD11B1HSD11B2EPHX2
SCHEMBL231777 0.79 HSD11B1 (0.60) HSD11B1HSD11B2
SCHEMBL3191700 0.79 POLB (0.61) POLBKMT2ATSHRALDH1A1NPC1

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 8 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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US claimed
US-7880001-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-02-01 US claimed
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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 POLB 1316/4885KMT2A 2576/4885TSHR 3239/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 POLB 1287/4885KMT2A 3808/4885TSHR 3534/4885
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 POLB 1316/4885KMT2A 2576/4885TSHR 3239/4885

“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.