SCHEMBL1877199

SCHEMBL1877199

c1ccc(CN(Cc2ccc(CNCc3ccccn3)cc2)C2CCCc3cccnc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 19/20 0.76
CYP3A4 P08684 13/20 0.73
CYP2D6 P10635 13/20 0.73

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
SCHEMBL29823490 1.00 CXCR4 (0.76) CXCR4CYP3A4CYP2D6
Bromide SCHEMBL4541387 0.99 CXCR4 (0.75) CXCR4CYP3A4CYP2D6
SCHEMBL29823322 0.96 CXCR4 (0.76) CXCR4CYP3A4CYP2D6
SCHEMBL1875171 0.96 CXCR4 (0.76) CXCR4CYP3A4CYP2D6
SCHEMBL28446969 0.96 CXCR4 (0.70) CXCR4CYP3A4CYP2D6
Bromide SCHEMBL4550505 0.95 CXCR4 (0.75) CXCR4CYP3A4CYP2D6
SCHEMBL29823471 0.94 CXCR4 (0.73) CXCR4CYP3A4CYP2D6
SCHEMBL1874663 0.94 CXCR4 (0.73) CXCR4CYP3A4CYP2D6
SCHEMBL3313999 0.94 CXCR4 (0.73) CXCR4CYP3A4CYP2D6
SCHEMBL1880611 0.93 CXCR4 (0.68) CXCR4CYP3A4CYP2D6

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 70 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
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 US claimed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 EP 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
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-20240189387-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS ENSOMA, INC. 2024-06-13 US disclosed
EP-3735412-B1 COMPOSITIONS AND METHODS FOR THE EXPANSION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS AND TREATMENT OF INHERITED METABOLIC DISORDERS EDIGENE BIOTECHNOLOGY INC (CN) 2024-02-21 EP disclosed
EP-4308694-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS Magenta Therapeutics, Inc. (US) 2024-01-24 EP disclosed
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells ANORMED INC. 2006-02-16 US disclosed
US-6987102-B2 Methods to mobilize progenitor/stem cells ANORMED, INC. (CA) 2006-01-17 US disclosed
US-20050043367-A1 Methods to mobilize progenitor/stem cells ANORMED CORPORATION (CA) 2005-02-24 US disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
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 disclosed
US-20030130250-A1 Methods to mobilize progenitor/stem cells ANORMED, INC. (CA) 2003-07-10 US 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-20240189387-A1 DOSING REGIMENS FOR HEMATOPOIETIC STEM CELL MOBILIZATION FOR STEM CELL TRANSPLANTS IN MULTIPLE MYELOMA PATIENTS CXCL12, MCL1, MYADM CXCR4 11/4885CYP3A4 4780/4885CYP2D6 4158/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 CXCR4 1/4885CYP3A4 2524/4885CYP2D6 3280/4885
US-20050043367-A1 Methods to mobilize progenitor/stem cells CXCL12, CXCR4, CXCR1 CXCR4 2/4885CYP3A4 4662/4885CYP2D6 3422/4885
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells CXCL12, CXCR2, CXCR4 CXCR4 3/4885CYP3A4 4678/4885CYP2D6 4178/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 CXCR4 2/4885CYP3A4 4455/4885CYP2D6 3954/4885
US-20250032549-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM AND PROGENITOR CELLS CXCL12, CD44, CD47 CXCR4 7/4885CYP3A4 4587/4885CYP2D6 2847/4885
US-20240285831-A1 METHODS OF USE OF MODULATORS TO IMPROVE NERVE REGENERATION CXCR3, CXCL12, CXCR4 CXCR4 3/4885CYP3A4 4854/4885CYP2D6 4798/4885
US-20030130250-A1 Methods to mobilize progenitor/stem cells CXCR4, CXCL12, CXCR2 CXCR4 1/4885CYP3A4 4866/4885CYP2D6 4443/4885
US-20250295698-A1 DOSING REGIMENS FOR THE MOBILIZATION OF HEMATOPOIETIC STEM CELLS CXCL12, CSF3R, THPO CXCR4 12/4885CYP3A4 4834/4885CYP2D6 4134/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 CXCR4 2/4885CYP3A4 1591/4885CYP2D6 946/4885

“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.