Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4697510 | 0.87 | CCR5 (0.46) | CCR5L3MBTL1MAPTALDH1A1AADAT | |
| SCHEMBL5659108 | 0.85 | CCR5 (0.53) | CCR5L3MBTL1MAPTALDH1A1TP53 | |
| SCHEMBL3283576 | 0.81 | CCR5 (0.44) | CCR5L3MBTL1MAPTALDH1A1HCRTR1 | |
| SCHEMBL4701550 | 0.80 | CCR5 (0.53) | CCR5MAPTALDH1A1TP53POLB | |
| SCHEMBL13359864 | 0.77 | ALDH1A1 (0.40) | L3MBTL1MAPTALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5659102 | 0.76 | CCR5 (0.45) | CCR5POLBHCRTR1HCRTR2HRH4 | |
| SCHEMBL14440824 | 0.76 | CCR5 (0.46) | CCR5 | |
| SCHEMBL5663163 | 0.75 | CCR5 (0.42) | CCR5ALDH1A1POLBHCRTR1HCRTR2 | |
| SCHEMBL4692659 | 0.71 | MAPT (0.42) | CCR5L3MBTL1MAPTALDH1A1TP53 | |
| SCHEMBL4694337 | 0.71 | CCR5 (0.43) | CCR5L3MBTL1MAPTALDH1A1HCRTR1 |
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 1/4885L3MBTL1 3377/4885MAPT 3482/4885 |
“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.