SCHEMBL234093

SCHEMBL234093

Cc1cccc(N2CCCNCC2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.87
HTR7 P34969 5/20 0.58
HTR1A P08908 4/20 0.58
HTR3A P46098 4/20 0.58
HTR2C P28335 4/20 0.58
HTR2A P28223 2/20 0.58
HTR2B P41595 2/20 0.58
HTR6 P50406 2/20 0.58
HTR1D P28221 2/20 0.58
HTR3E A5X5Y0 3/20 0.56
HTR3B O95264 3/20 0.56
HTR3D Q70Z44 3/20 0.56
HTR3C Q8WXA8 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
THRB P10828 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL81365 0.93 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3AHTR2C
SCHEMBL29391951 0.93 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3AHTR2C
Hydrochloric Acid SCHEMBL314399 0.91 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3AHTR2C
Hydrochloric Acid SCHEMBL6965723 0.91 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3AHTR2C
SCHEMBL25078445 0.87 ADRB1 (0.65) ADRB1HTR7HTR1AHTR3AHTR2C
SCHEMBL30476655 0.86 ADRB1 (0.62) ADRB1HTR7HTR1AHTR3AHTR2C
Bicarbonate SCHEMBL11624933 0.85 ADRB1 (0.84) ADRB1HTR7HTR1AHTR3AHTR2C
Hydrochloric Acid SCHEMBL25317129 0.84 ADRB1 (0.61) ADRB1HTR7HTR1AHTR3AHTR2C
Hydrochloric Acid SCHEMBL30476665 0.84 ADRB1 (0.61) ADRB1HTR7HTR1AHTR3AHTR2C
SCHEMBL8264176 0.84 ADRB1 (0.69) ADRB1HTR7HTTALDH1A1MAPT

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 16 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-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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 (7 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 ADRB1 646/4885HTR7 3592/4885HTR1A 1692/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 ADRB1 722/4885HTR7 2424/4885HTR1A 1149/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 ADRB1 722/4885HTR7 2424/4885HTR1A 1149/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ADRB1 646/4885HTR7 3592/4885HTR1A 1692/4885
US-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ADRB1 646/4885HTR7 3592/4885HTR1A 1692/4885
US-20120004206-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 ADRB1 646/4885HTR7 3592/4885HTR1A 1692/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ADRB1 241/4885HTR7 3237/4885HTR1A 3061/4885

“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.