SCHEMBL4790965

SCHEMBL4790965

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCC(NC2CCCc3cccnc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.41
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NAMPT P43490 1/20 0.36
PDE10A Q9Y233 2/20 0.36
ADORA2A P29274 1/20 0.35
DRD2 P14416 2/20 0.35
KDM1A O60341 1/20 0.34
AKT1 P31749 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
SCHEMBL4790964 1.00 CXCR4 (0.41) CXCR4FNTAFNTBHDAC1HDAC6
SCHEMBL2084608 0.84 FNTA (0.51) CXCR4FNTAFNTBHDAC1HDAC6
SCHEMBL5052627 0.80 KDM1A (0.47) CXCR4FNTAFNTBHDAC1HDAC6
SCHEMBL5057517 0.80 KDM1A (0.47) CXCR4FNTAFNTBHDAC1HDAC6
SCHEMBL5057514 0.80 KDM1A (0.47) CXCR4FNTAFNTBHDAC1HDAC6
SCHEMBL5052628 0.80 KDM1A (0.47) CXCR4FNTAFNTBHDAC1HDAC6
SCHEMBL4760253 0.76 FNTA (0.49) CXCR4FNTAFNTBHDAC6KDM1A
SCHEMBL2084963 0.75 SSTR4 (0.38) NAMPTDRD2AKT1
SCHEMBL2084962 0.75 SSTR4 (0.38) NAMPTDRD2AKT1
SCHEMBL14130906 0.73 HDAC1 (0.44) CXCR4FNTAFNTBHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2842/4885FNTB 2809/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2842/4885FNTB 2809/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2842/4885FNTB 2809/4885
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2842/4885FNTB 2809/4885
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2842/4885FNTB 2809/4885
US-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2894/4885FNTB 3003/4885
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2842/4885FNTB 2809/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885FNTA 2842/4885FNTB 2809/4885

“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.