Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CCL5 | P13501 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | PLAT | P00750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5659102 | 0.84 | CCR5 (0.45) | CCR5HCRTR1HCRTR2HRH4POLB | |
| SCHEMBL3283573 | 0.82 | CCR5 (0.40) | CCR5HCRTR1HCRTR2CCL5 | |
| SCHEMBL4697510 | 0.76 | CCR5 (0.46) | CCR5POLBALDH1A1HPGD | |
| SCHEMBL5663166 | 0.75 | CCR5 (0.46) | CCR5HCRTR1HCRTR2HRH4POLB | |
| SCHEMBL4697071 | 0.73 | CCR5 (0.48) | CCR5HCRTR1HCRTR2CCL5 | |
| SCHEMBL14440776 | 0.72 | CCR5 (0.52) | CCR5HCRTR1HCRTR2HRH4HRH3 | |
| SCHEMBL4701550 | 0.72 | CCR5 (0.53) | CCR5POLBALDH1A1 | |
| SCHEMBL4694334 | 0.71 | HCRTR1 (0.43) | CCR5HCRTR1HCRTR2CCL5 | |
| SCHEMBL4753638 | 0.70 | CCR5 (0.59) | CCR5CCL5 | |
| SCHEMBL5659108 | 0.70 | CCR5 (0.53) | CCR5POLBCCL5ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | 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 (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-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | CCR5, CXCR1, CXCR3 | CCR5 1/4885HCRTR1 150/4885HCRTR2 254/4885 |
“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.