SCHEMBL2509892

SCHEMBL2509892

NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CO)c1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.89

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
SCHEMBL2509877 0.94 CXCR4 (1.00) CXCR4
SCHEMBL2511070 0.94 CXCR4 (1.00) CXCR4
SCHEMBL2508586 0.93 CXCR4 (0.95) CXCR4
SCHEMBL2509004 0.91 CXCR4 (0.85) CXCR4
SCHEMBL2507407 0.90 CXCR4 (0.86) CXCR4
SCHEMBL2510514 0.90 CXCR4 (0.88) CXCR4
SCHEMBL15703631 0.90 CXCR4 (0.85) CXCR4
SCHEMBL2508463 0.89 CXCR4 (0.85) CXCR4
SCHEMBL2504027 0.89 CXCR4 (0.85) CXCR4
SCHEMBL2513284 0.89 CXCR4 (0.85) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP claimed
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORPORATION 2010-02-11 US claimed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US claimed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US claimed
EP-1991221-B1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION GENZYME CORP (US) 2014-05-21 EP disclosed
US-20130095076-A1 Methods For Increasing Blood Flow And/Or Promoting Tissue Regeneration GENZYME CORPORATION (US) 2013-04-18 US disclosed
US-20110245265-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY GENZYME CORPORATION (US) 2011-10-06 US disclosed
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
WO-2010025416-A1 CXCR4 ANTAGONISTS FOR KIDNEY INJURY GENZYME CORPORATION (US) 2010-03-04 WO disclosed
US-7169750-B2 Methods to mobilize progenitor/stem cells ANORMED, INC. (CA) 2007-01-30 US disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20050043367-A1 Methods to mobilize progenitor/stem cells ANORMED CORPORATION (CA) 2005-02-24 US disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 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 (7 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 1/4885
US-20050043367-A1 Methods to mobilize progenitor/stem cells CXCL12, CXCR4, CXCR1 CXCR4 2/4885
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 CXCR4 2/4885
US-20130095076-A1 Methods For Increasing Blood Flow And/Or Promoting Tissue Regeneration CXCL12, CXCR4, CXCR1 CXCR4 2/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885

“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.