SCHEMBL2508240

SCHEMBL2508240

C=CCC(c1nc2ccccc2[nH]1)C(CCCN)N[C@H]1CCCc2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 17/20 0.47
CHRM2 P08172 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD2 P14416 1/20 0.46
OPRM1 P35372 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC6 Q9UBN7 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40

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
SCHEMBL2506561 1.00 CXCR4 (0.47) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2510499 0.89 CXCR4 (0.50) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2511827 0.86 CXCR4 (0.50) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2503584 0.86 CXCR4 (0.37) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2504801 0.86 CXCR4 (0.37) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2084443 0.86 CXCR4 (0.50) CXCR4CHRM2CYP2D6DRD2OPRM1
Hydrochloric Acid SCHEMBL5052801 0.85 CXCR4 (0.49) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL5059201 0.83 CXCR4 (0.43) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL5055214 0.82 CXCR4 (0.42) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL5112757 0.77 CXCR4 (0.58) 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 20 patents. 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-7354934-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 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
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-20110245265-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY GENZYME CORPORATION (US) 2011-10-06 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 (10 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-20110245265-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY CXCR4, CXCR3, CXCR1 CXCR4 1/4885CHRM2 1505/4885CYP2D6 4501/4885
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-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2757/4885CYP2D6 3057/4885
US-20060100240-A1 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-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 CXCR4 2/4885CHRM2 2735/4885CYP2D6 2945/4885
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.