Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3314059 | 0.86 | CXCR4 (0.56) | CXCR4CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4541649 | 0.84 | CXCR4 (0.49) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL7846052 | 0.82 | CXCR4 (0.56) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL30050660 | 0.78 | CXCR4 (0.71) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL3312846 | 0.78 | HDAC6 (0.48) | CXCR4CYP3A4CYP2D6CXCR3 | |
| SCHEMBL4074278 | 0.78 | CXCR4 (0.52) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL4250911 | 0.77 | CXCR4 (0.47) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL3314317 | 0.77 | HDAC6 (0.46) | CXCR4CYP3A4CYP2D6CXCR3 | |
| SCHEMBL4062755 | 0.74 | CXCR4 (0.45) | CXCR4CYP3A4CYP2D6CXCR3 | |
| SCHEMBL4070538 | 0.74 | CXCR4 (0.41) | CXCR4CYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100105915-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2010-04-29 | — | — | US | disclosed |
| US-7629337-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2009-12-08 | — | — | US | disclosed |
| US-7183273-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED, INC. (CA) | 2007-02-27 | — | — | US | disclosed |
| US-20060264434-A1 | Chemokine receptor binding heterocyclic compounds | ANORMED INC. (CA) | 2006-11-23 | — | — | US | disclosed |
| EP-1163238-B1 | CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2006-05-31 | — | — | EP | 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 |
| 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060264434-A1 | Chemokine receptor binding heterocyclic compounds | CCR5, CXCR4, CXCR1 | CXCR4 2/4885CYP3A4 1330/4885CYP2D6 934/4885 |
| US-20100105915-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | CXCR4, CCR5, CXCR3 | CXCR4 1/4885CYP3A4 2524/4885CYP2D6 3280/4885 |
| 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.