SCHEMBL232629

SCHEMBL232629

CC(CN)Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.63
SLC6A3 Q01959 2/20 0.63
SLC6A4 P31645 2/20 0.56
TAAR1 Q96RJ0 1/20 0.46
CHRNA4 P43681 2/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRB2 P07550 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
CHRNB2 P17787 1/20 0.40
AOC3 Q16853 1/20 0.39
ACACB O00763 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 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
Hydrochloric Acid SCHEMBL1695433 0.98 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4TAAR1CHRNA4
SCHEMBL5735711 0.83 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4TAAR1CHRNA4
SCHEMBL8840397 0.83 IDO1 (0.50) SLC6A2SLC6A3TAAR1IDO1ACACB
SCHEMBL11910689 0.80 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4TAAR1CHRNA4
SCHEMBL10665841 0.80 TAAR1 (0.48) SLC6A2SLC6A3TAAR1CYP1A2IDO1
SCHEMBL23047509 0.80 TAAR1 (0.48) SLC6A2SLC6A3SLC6A4TAAR1ACACB
SCHEMBL13165982 0.80 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4TAAR1CHRNA4
SCHEMBL13165983 0.80 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4TAAR1CHRNA4
SCHEMBL2127822 0.79 TAAR1 (0.54) SLC6A2SLC6A3SLC6A4TAAR1CHRNA4
Hydrochloric Acid SCHEMBL4681893 0.79 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4TAAR1CHRNA4

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
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 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 SLC6A2 2232/4885SLC6A3 3242/4885SLC6A4 2945/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 SLC6A2 1013/4885SLC6A3 1855/4885SLC6A4 1679/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 SLC6A2 1013/4885SLC6A3 1855/4885SLC6A4 1679/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 SLC6A2 2232/4885SLC6A3 3242/4885SLC6A4 2945/4885
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 SLC6A2 2232/4885SLC6A3 3242/4885SLC6A4 2945/4885

“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.