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 | |
|---|---|---|---|---|
| SCHEMBL4700636 | 0.92 | CCR5 (0.55) | KCNH2CCR5 | |
| SCHEMBL4696694 | 0.91 | KCNH2 (0.43) | KCNH2CCR5 | |
| SCHEMBL4689802 | 0.83 | KCNH2 (0.55) | KCNH2CCR5 | |
| SCHEMBL5428452 | 0.82 | KCNH2 (0.62) | KCNH2CCR5 | |
| SCHEMBL13326681 | 0.82 | KCNH2 (0.62) | KCNH2CCR5 | |
| SCHEMBL4699821 | 0.82 | KCNH2 (0.44) | KCNH2CCR5 | |
| SCHEMBL4694938 | 0.82 | KCNH2 (0.52) | KCNH2CCR5 | |
| SCHEMBL4691505 | 0.81 | CCR5 (0.55) | KCNH2CCR5 | |
| SCHEMBL4691413 | 0.81 | CCR5 (0.54) | KCNH2CCR5 | |
| SCHEMBL4698801 | 0.81 | CCR5 (0.55) | KCNH2CCR5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987036-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | claimed |
| WO-2007093520-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | claimed |
| 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 | KCNH2 1046/4885CCR5 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.