SCHEMBL328938

SCHEMBL328938

CC1(C)C(=O)N(C2C3CCCC2CC(C(N)=O)C3)CC1COc1ccc(C#N)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 1.00
HSD11B2 P80365 9/20 1.00
CYP2D6 P10635 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
TACR3 P29371 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL328910 0.92 HSD11B1 (0.86) HSD11B1HSD11B2CYP2D6DPP4DPP8
SCHEMBL328817 0.91 HSD11B1 (0.83) HSD11B1HSD11B2CYP2D6DPP4DPP8
SCHEMBL19256171 0.82 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6
SCHEMBL4791837 0.82 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6
SCHEMBL328819 0.82 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6
SCHEMBL4791839 0.82 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6
SCHEMBL328942 0.80 HSD11B1 (0.86) HSD11B1HSD11B2CYP2D6
SCHEMBL328846 0.79 HSD11B1 (0.85) HSD11B1HSD11B2CYP2D6DPP4DPP8
SCHEMBL328769 0.79 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6DPP4DPP8
SCHEMBL328784 0.78 HSD11B1 (0.83) HSD11B1HSD11B2CYP2D6

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099740-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES 2015-04-09 US claimed
US-20130059829-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBVIE INC. 2013-03-07 US claimed
EP-2007719-B1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-05-02 EP claimed
EP-2407452-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2012-01-18 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
WO-2011068927-A2 11-β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11B-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-09 WO claimed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-20100152179-A9 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2010-06-17 US claimed
US-7737137-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-06-15 US claimed
US-20090054426-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 US claimed
EP-2007719-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME Abbott Laboratories (US) 2008-12-31 EP claimed
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US claimed
US-7435833-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2008-10-14 US claimed
US-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-03-27 US claimed
WO-2007118185-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-18 WO claimed
US-9464072-B2 Treatment of central nervous system disorders ABBVIE INC. (US) 2016-10-11 US disclosed
US-7435833-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2008-10-14 US disclosed
US-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-03-27 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-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885HSD11B2 2/4885CYP2D6 182/4885
US-20100152179-A9 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885CYP2D6 447/4885
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 HSD11B1 2/4885HSD11B2 1/4885CYP2D6 1094/4885
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885CYP2D6 714/4885
US-20090054426-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885CYP2D6 447/4885
US-20150099740-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885CYP2D6 447/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885CYP2D6 244/4885
US-20130059829-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CHAT, HSD17B1, ACHE HSD11B1 5/4885HSD11B2 14/4885CYP2D6 447/4885

“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.