Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL4694364 | 0.91 | CCL5 (0.52) | CCL5CCR5 | |
| SCHEMBL4694909 | 0.88 | CCL5 (0.58) | CCL5CCR5 | |
| SCHEMBL4691442 | 0.86 | CCL5 (0.56) | CCL5CCR5 | |
| SCHEMBL5661153 | 0.85 | CCL5 (0.55) | CCL5CCR5 | |
| SCHEMBL13359853 | 0.84 | CCL5 (0.54) | CCL5CCR5 | |
| SCHEMBL3282169 | 0.84 | CCL5 (0.69) | CCL5CCR5 | |
| SCHEMBL3290294 | 0.84 | CCL5 (0.69) | CCL5CCR5 | |
| SCHEMBL4695016 | 0.84 | CCL5 (0.53) | CCL5CCR5 | |
| SCHEMBL5661046 | 0.83 | CCL5 (0.53) | CCL5CCR5 | |
| SCHEMBL4692801 | 0.83 | CCL5 (0.52) | CCL5CCR5 |
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 | claimed |
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 | CCL5 13/4885CCR5 1/4885 |
“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.