SCHEMBL4714079

SCHEMBL4714079

CC(C)(C)OC(=O)NC1C=CC(N)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.54
NFKB2 Q00653 4/20 0.54
RELA Q04206 4/20 0.54
BTK Q06187 1/20 0.42
EPHX2 P34913 1/20 0.40
CTSK P43235 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
GAA P10253 2/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL4714074 1.00 NFKB1 (0.54) NFKB1NFKB2RELABTKEPHX2
SCHEMBL4714078 1.00 NFKB1 (0.54) NFKB1NFKB2RELABTKEPHX2
SCHEMBL4713238 0.87 NFKB1 (0.54) NFKB1NFKB2RELABTKEPHX2
SCHEMBL4713236 0.87 NFKB1 (0.54) NFKB1NFKB2RELABTKEPHX2
SCHEMBL14459580 0.87 NFKB1 (0.54) NFKB1NFKB2RELABTKEPHX2
SCHEMBL14459596 0.87 NFKB1 (0.54) NFKB1NFKB2RELABTKEPHX2
SCHEMBL4713242 0.87 NFKB1 (0.54) NFKB1NFKB2RELABTKEPHX2
SCHEMBL23912305 0.85 NFKB1 (0.55) NFKB1NFKB2RELABTKEPHX2
SCHEMBL22426005 0.85 NFKB1 (0.55) NFKB1NFKB2RELABTKEPHX2
SCHEMBL22084065 0.85 NFKB1 (0.55) NFKB1NFKB2RELABTKEPHX2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 US disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 US disclosed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP disclosed
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2016-08-11 US disclosed
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy ANORMED, INC. (CA) 2015-02-05 US disclosed
US-8778967-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2014-07-15 US disclosed
US-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2012-11-29 US disclosed
US-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2008-07-10 US disclosed
EP-1465889-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-05-14 EP disclosed
US-7354934-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 US disclosed
US-7354932-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 US disclosed
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2006-05-11 US disclosed
EP-1628533-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-03-01 EP disclosed
WO-2004106493-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-12-09 WO disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 EP disclosed
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2004-01-29 US disclosed
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 US disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 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 (9 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-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885
US-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 NFKB1 1053/4885NFKB2 1543/4885RELA 330/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 NFKB1 888/4885NFKB2 1269/4885RELA 275/4885

“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.