SCHEMBL328841

SCHEMBL328841

CC1(C)C(=O)N(C2C3CC4CC2CC(C(N)=O)(C4)C3)CC1COc1ccc(-n2cncn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 1.00
HSD11B2 P80365 12/20 1.00
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL328814 0.91 HSD11B1 (0.84) HSD11B1HSD11B2CYP2D6CYP2C9CYP1A2
SCHEMBL2823382 0.87 HSD11B1 (0.77) HSD11B1HSD11B2CYP2D6CYP2C9CYP3A4
SCHEMBL2823378 0.87 HSD11B1 (0.77) HSD11B1HSD11B2CYP2D6CYP2C9CYP3A4
SCHEMBL328856 0.86 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6CYP2C9CYP1A2
SCHEMBL4791837 0.78 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6CYP2C9CYP3A4
SCHEMBL328819 0.78 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6CYP2C9CYP3A4
SCHEMBL19256171 0.78 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6CYP2C9CYP3A4
SCHEMBL4791839 0.78 HSD11B1 (1.00) HSD11B1HSD11B2CYP2D6CYP2C9CYP3A4
SCHEMBL328901 0.77 HSD11B1 (0.84) HSD11B1HSD11B2CYP2D6CYP2C9CYP1A2
SCHEMBL328870 0.74 HSD11B1 (0.86) HSD11B1HSD11B2CYP2D6CYP2C9CYP3A4

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 32 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
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
WO-2009026422-A2 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES (US) 2009-02-26 WO 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-20150099740-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES 2015-04-09 US disclosed
US-8940902-B2 Treatment of central nervous system disorders ABBVIE INC. (US) 2015-01-27 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
WO-2007118185-A2 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-18 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 (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-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-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.