Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 20/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 7/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.66 |
| ▸ | GHSR | Q92847 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704619 | 0.90 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2GHSR | |
| SCHEMBL1704458 | 0.90 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4180898 | 0.86 | MLNR (0.76) | MLNRCYP3A4CYP2D6KCNH2GHSR | |
| SCHEMBL1704135 | 0.85 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL1704589 | 0.85 | MLNR (1.00) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL4596731 | 0.82 | MLNR (0.69) | MLNRCYP3A4CYP2D6KCNH2GHSR | |
| SCHEMBL1704649 | 0.81 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL14618440 | 0.81 | MLNR (0.80) | MLNRCYP3A4CYP2D6GHSR | |
| SCHEMBL1704131 | 0.81 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704133 | 0.81 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130317041-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-11-28 | — | — | US | claimed |
| EP-1907374-B1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | GLAXO GROUP LTD (GB) | 2012-08-22 | — | — | EP | claimed |
| US-20090054456-A1 | BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2009-02-26 | — | — | US | claimed |
| US-20130317041-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-11-28 | — | — | US | disclosed |
| US-8536182-B2 | Benzylpiperazine derivatives and their medical use | GLAXO GROUP LIMITED (GB) | 2013-09-17 | — | — | US | disclosed |
| US-8536182-B2 | Benzylpiperazine derivatives and their medical use | GLAXO GROUP LIMITED (GB) | 2013-09-17 | — | — | US | disclosed |
| EP-1907374-B1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | GLAXO GROUP LTD (GB) | 2012-08-22 | — | — | EP | disclosed |
| EP-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |
| US-20090054456-A1 | BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2009-02-26 | — | — | US | disclosed |
| US-20090054456-A1 | BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2009-02-26 | — | — | US | disclosed |
| US-20090054456-A1 | BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2009-02-26 | — | — | 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 (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-20090054456-A1 | BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE | GPR68, GPR88, GPR55 | MLNR 87/4885CYP3A4 606/4885CYP2D6 582/4885 |
| US-20130317041-A1 | COMPOUNDS | GPR68, GPR88, GPR35 | MLNR 71/4885CYP3A4 647/4885CYP2D6 787/4885 |
“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.