SCHEMBL3202045

SCHEMBL3202045

c1cnc2c(c1)CCCC2N(Cc1ncc[nH]1)Cc1nc2ccccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.80
CHRM2 P08172 1/20 0.76
CYP2D6 P10635 1/20 0.76
DRD2 P14416 1/20 0.76
OPRM1 P35372 1/20 0.76
KCNH2 Q12809 1/20 0.76
CYP3A4 P08684 1/20 0.69

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
SCHEMBL2504776 0.94 CXCR4 (0.86) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL4761016 0.93 CXCR4 (0.79) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL22894597 0.90 CXCR4 (0.84) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL13909512 0.90 CXCR4 (0.91) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL4759519 0.89 CXCR4 (1.00) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL4932646 0.89 CXCR4 (0.85) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL4061562 0.89 CXCR4 (0.81) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL22894738 0.88 CXCR4 (0.84) CXCR4CHRM2CYP2D6DRD2OPRM1
Bromide SCHEMBL30096616 0.88 CXCR4 (0.98) CXCR4CHRM2CYP2D6DRD2OPRM1
SCHEMBL2510349 0.88 CXCR4 (0.77) 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 26 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-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US claimed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 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
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-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
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 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 (6 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-20050043367-A1 Methods to mobilize progenitor/stem cells CXCL12, CXCR4, CXCR1 CXCR4 2/4885CHRM2 2457/4885CYP2D6 3422/4885
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885CHRM2 1305/4885CYP2D6 2394/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885CHRM2 1305/4885CYP2D6 2394/4885
US-20100035941-A1 METHODS FOR INCREASING BLOOD FLOW AND/OR PROMOTING TISSUE REGENERATION CCR2, CXCR4, CXCR2 CXCR4 2/4885CHRM2 600/4885CYP2D6 3954/4885
US-20130095076-A1 Methods For Increasing Blood Flow And/Or Promoting Tissue Regeneration CXCL12, CXCR4, CXCR1 CXCR4 2/4885CHRM2 1373/4885CYP2D6 4546/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CXCR4 7/4885CHRM2 1305/4885CYP2D6 2394/4885

“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.