Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1798997 | 0.89 | CXCR4 (0.48) | CXCR4TAAR1CYP2D6TSHRLMNA | |
| SCHEMBL1793549 | 0.87 | CXCR4 (0.67) | CXCR4TAAR1HCRTR1HCRTR2CNR2 | |
| SCHEMBL1802371 | 0.79 | CXCR4 (0.64) | CXCR4TAAR1CYP2D6TSHRLMNA | |
| SCHEMBL1796506 | 0.77 | CXCR4 (0.64) | CXCR4TAAR1CNR2CYP2D6TSHR | |
| SCHEMBL2695437 | 0.71 | HCRTR1 (0.44) | TAAR1HCRTR1HCRTR2CNR2CYP2D6 | |
| SCHEMBL1795129 | 0.70 | CXCR4 (0.53) | CXCR4TAAR1CA12CA2CA9 | |
| SCHEMBL1204806 | 0.70 | CXCR4 (0.72) | CXCR4TAAR1CYP2D6TSHRLMNA | |
| SCHEMBL2693687 | 0.69 | CXCR4 (0.37) | CXCR4TAAR1HCRTR1HCRTR2CNR2 | |
| SCHEMBL2693691 | 0.69 | CXCR4 (0.37) | CXCR4TAAR1HCRTR1HCRTR2CNR2 | |
| SCHEMBL4921625 | 0.68 | NAMPT (0.49) | CXCR4TAAR1HCRTR1HCRTR2CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8822459-B2 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-09-02 | — | — | US | disclosed |
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | disclosed |
| US-20110142856-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-06-16 | — | — | US | disclosed |
| US-7951816-B2 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20080009495-A1 | Compound Containing Basic Group and Use Thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-01-10 | — | — | US | disclosed |
| EP-1790639-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-05-30 | — | — | EP | 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 (2 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-20110142856-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | CXCR4, CCR5, CXCL12 | CXCR4 1/4885TAAR1 903/4885HCRTR1 750/4885 |
| US-20080009495-A1 | Compound Containing Basic Group and Use Thereof | CXCR4, CCR5, CXCR3 | CXCR4 1/4885TAAR1 1001/4885HCRTR1 771/4885 |
“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.