SCHEMBL1878773

SCHEMBL1878773

c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 1.00
CYP2D6 P10635 2/20 0.64
CYP3A4 P08684 1/20 0.64
CHRM2 P08172 1/20 0.63
DRD2 P14416 1/20 0.63
OPRM1 P35372 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL29823518 1.00 CXCR4 (1.00) CXCR4CYP2D6CYP3A4CHRM2DRD2
Bromide SCHEMBL4544117 0.99 CXCR4 (0.98) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL4069667 0.94 CXCR4 (0.88) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL14129578 0.94 CXCR4 (0.88) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL28446985 0.93 CXCR4 (0.88) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL13909515 0.93 CXCR4 (0.88) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL4063485 0.93 CXCR4 (0.87) CXCR4CYP2D6CHRM2DRD2OPRM1
SCHEMBL4069793 0.93 CXCR4 (0.87) CXCR4CYP2D6CHRM2DRD2OPRM1
SCHEMBL29823368 0.93 CXCR4 (0.87) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL1882435 0.93 CXCR4 (0.87) CXCR4CYP2D6CYP3A4CHRM2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371361-A1 Methods to mobilize progenitor/stem cells Genzyme Global S.à.r.l. (LU) 2011-10-05 EP claimed
US-7935692-B2 Methods to mobilize progenitor/stem cells GENZYME CORPORATION (US) 2011-05-03 US claimed
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 US claimed
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION 2010-02-11 US claimed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP claimed
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 US claimed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US claimed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 EP claimed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US claimed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US claimed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US claimed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP claimed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US claimed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO claimed
US-20250295698-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM CELLS ENSOMA INC (US) 2025-09-25 US disclosed
US-20250032549-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS ENSOMA INC (US) 2025-01-30 US disclosed
US-20240285831-A1 METHODS OF USE OF MODULATORS TO IMPROVE NERVE REGENERATION KEEFER, Edward (US) 2024-08-29 US disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 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-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 CXCR4 1/4885CYP2D6 3280/4885CYP3A4 2524/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CXCR4 1/4885CYP2D6 3062/4885CYP3A4 2593/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 CXCR4 2/4885CYP2D6 3954/4885CYP3A4 4455/4885
US-20250032549-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS CXCL12, CD44, CD47 CXCR4 7/4885CYP2D6 2847/4885CYP3A4 4587/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CXCR4 7/4885CYP2D6 3122/4885CYP3A4 3162/4885
US-20240285831-A1 METHODS OF USE OF MODULATORS TO IMPROVE NERVE REGENERATION CXCR3, CXCL12, CXCR4 CXCR4 3/4885CYP2D6 4798/4885CYP3A4 4854/4885
US-20250295698-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM CELLS CXCL12, CSF3R, THPO CXCR4 12/4885CYP2D6 4134/4885CYP3A4 4834/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 CXCR4 2/4885CYP2D6 946/4885CYP3A4 1591/4885

“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.