SCHEMBL232665

SCHEMBL232665

FC(F)(F)c1cccc(N2CCCNCCC2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.82
SIGMAR1 Q99720 2/20 0.82
HTR3E A5X5Y0 1/20 0.82
HTR3B O95264 1/20 0.82
HTR1D P28221 1/20 0.82
HTR2C P28335 1/20 0.82
HTR3A P46098 1/20 0.82
HTR3D Q70Z44 1/20 0.82
HTR3C Q8WXA8 1/20 0.82
MAPT P10636 4/20 0.79
THRB P10828 1/20 0.79
ADRB1 P08588 1/20 0.56
POLB P06746 2/20 0.52
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ALOX5 P09917 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL3060543 0.97 ALDH1A1 (0.88) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Hydrochloric Acid SCHEMBL9311165 0.95 THRB (0.88) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL6094745 0.90 ALDH1A1 (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL231692 0.90 ALDH1A1 (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Hydrochloric Acid SCHEMBL720648 0.89 THRB (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Hydrochloric Acid SCHEMBL12818335 0.89 THRB (1.00) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Bromide SCHEMBL9146763 0.89 ALDH1A1 (0.97) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL12706910 0.88 ALDH1A1 (0.72) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Piperazine SCHEMBL28225297 0.87 THRB (0.97) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL6257153 0.86 ALDH1A1 (0.70) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D

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 14 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
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 ALDH1A1 157/4885SIGMAR1 1539/4885HTR3E 3073/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 ALDH1A1 188/4885SIGMAR1 994/4885HTR3E 2059/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 ALDH1A1 188/4885SIGMAR1 994/4885HTR3E 2059/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ALDH1A1 157/4885SIGMAR1 1539/4885HTR3E 3073/4885
US-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ALDH1A1 157/4885SIGMAR1 1539/4885HTR3E 3073/4885
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 ALDH1A1 157/4885SIGMAR1 1539/4885HTR3E 3073/4885

“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.