SCHEMBL2509568

SCHEMBL2509568

NCCCC(Cc1nc2ccccc2[nH]1)NC1CCCc2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.58
CHRM2 P08172 1/20 0.57
CYP2D6 P10635 1/20 0.57
DRD2 P14416 1/20 0.57
OPRM1 P35372 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL5112757 1.00 CXCR4 (0.58) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL5107261 1.00 CXCR4 (0.58) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL4759597 1.00 CXCR4 (0.58) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2504694 1.00 CXCR4 (0.58) CXCR4CHRM2CYP2D6DRD2OPRM1
Bromide SCHEMBL16426469 0.99 CXCR4 (0.57) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL5052658 0.97 CXCR4 (0.55) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2510507 0.95 CXCR4 (0.59) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2510503 0.91 CXCR4 (0.57) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2513434 0.91 CXCR4 (0.47) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2509279 0.90 CXCR4 (0.46) CXCR4CHRM2CYP2D6DRD2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP claimed
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy ANORMED, INC. (CA) 2015-02-05 US claimed
US-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2008-07-10 US claimed
US-7354934-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 US claimed
US-7354932-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 US claimed
US-20070043012-A1 Methods to enhance chemotherapy GENZYME CORPORATION 2007-02-22 US claimed
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
EP-1799215-B1 CHEMOKINE-BINDING HETEROCYCLIC COMPOUND SALTS, AND METHODS OF USE THEREOF GENZYME CORP (US) 2016-06-01 EP 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-20060069122-A1 Chemokine-binding heterocyclic compound salts, and methods of use thereof ANORMED INC. 2006-03-30 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 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885
US-20070043012-A1 Methods to enhance chemotherapy CXCR4, MCL1, CXCL12 CXCR4 1/4885CHRM2 1596/4885CYP2D6 4109/4885
US-20060069122-A1 Chemokine-binding heterocyclic compound salts, and methods of use thereof CCL2, CCL5, CXCR3 CXCR4 9/4885CHRM2 4109/4885CYP2D6 2677/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885

“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.