Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5054550 | 1.00 | CXCR4 (0.48) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| SCHEMBL5054546 | 1.00 | CXCR4 (0.48) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| SCHEMBL30096632 | 1.00 | CXCR4 (0.48) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| Bromide SCHEMBL18628756 | 0.99 | CXCR4 (0.47) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| Hydrochloric Acid SCHEMBL18628724 | 0.99 | CXCR4 (0.47) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| SCHEMBL4760298 | 0.92 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL4760832 | 0.86 | CXCR4 (0.44) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| Levacetylleucine SCHEMBL30331228 | 0.81 | ALDH1A1 (0.44) | CXCR4 | |
| SCHEMBL30096692 | 0.78 | CXCR4 (0.44) | CXCR4CYP2D6CHRM2ADRA2ADRD2 | |
| SCHEMBL2083508 | 0.77 | CXCR4 (0.37) | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170079971-A1 | CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO | EMORY UNIVERSITY (US) | 2017-03-23 | — | — | US | claimed |
| EP-1465889-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2017-03-22 | — | — | EP | claimed |
| US-7354934-B2 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | ANORMED, INC. (CA) | 2008-04-08 | — | — | US | claimed |
| CN-115894360-A | Preparation method of chiral amine compound and intermediate thereof | 上海医药工业研究院 | 2023-04-04 | — | — | CN | disclosed |
| EP-1613613-B1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORP (US) | 2021-06-02 | — | — | EP | disclosed |
| EP-1465889-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2017-03-22 | — | — | EP | disclosed |
| EP-1799215-B1 | CHEMOKINE-BINDING HETEROCYCLIC COMPOUND SALTS, AND METHODS OF USE THEREOF | GENZYME CORP (US) | 2016-06-01 | — | — | EP | disclosed |
| WO-2010025416-A1 | CXCR4 ANTAGONISTS FOR KIDNEY INJURY | GENZYME CORPORATION (US) | 2010-03-04 | — | — | WO | disclosed |
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1465889-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1793825-A2 | CHEMCIAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006036816-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-04-06 | — | — | WO | disclosed |
| EP-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |
| EP-1465889-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | AnorMED Inc. (CA) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003055876-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2003-07-10 | — | — | 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 (1 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-20170079971-A1 | CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO | CXCR4, CXCL12, CXCR2 | CXCR4 1/4885CYP2D6 2631/4885CHRM2 2629/4885 |
“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.