Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13543037 | 0.91 | CCR5 (0.50) | CCR5MEN1KMT2ASIGMAR1KCNH2 | |
| SCHEMBL13543038 | 0.85 | CCR5 (0.61) | CCR5SIGMAR1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL7136170 | 0.84 | CCR5 (0.60) | CCR5SIGMAR1ALDH1A1LMNA | |
| SCHEMBL13543078 | 0.82 | CCR5 (0.46) | CCR5 | |
| SCHEMBL4164384 | 0.82 | MEN1 (0.56) | CCR5MEN1KMT2AKCNH2SLC6A2 | |
| SCHEMBL3556747 | 0.82 | MEN1 (0.56) | CCR5MEN1KMT2ASIGMAR1KCNH2 | |
| SCHEMBL4027887 | 0.82 | L3MBTL1 (0.57) | CCR5MEN1KMT2AKCNH2SLC6A2 | |
| SCHEMBL2769377 | 0.81 | KCNH2 (0.61) | CCR5MEN1KMT2AKCNH2GPR119 | |
| Hydrochloric Acid SCHEMBL7668700 | 0.81 | HTR2A (0.48) | CCR5CASP6KCNH2SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL4025121 | 0.81 | KCNH2 (0.60) | CCR5MEN1KMT2AKCNH2GPR119 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7589207-B2 | Cyclohexyl compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2009-09-15 | — | — | US | disclosed |
| US-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | US | disclosed |
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | AQUINO CHRISTOPHER JOSEPH | 2009-02-26 | — | — | US | disclosed |
| US-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | AQUINO CHRISTOPHER JOSEPH | 2009-02-26 | — | — | US | disclosed |
| US-7452992-B2 | inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole | SMITHKLINE BEECHAM CORPORATION (US) | 2008-11-18 | — | — | US | disclosed |
| US-7452992-B2 | inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole | SMITHKLINE BEECHAM CORPORATION (US) | 2008-11-18 | — | — | US | disclosed |
| EP-1569931-B1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-10-08 | — | — | EP | disclosed |
| US-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| US-20060052595-A1 | Heterocyclic compounds as ccr5 antagonists | SMITHKLINE BEECHAM CORPORATION | 2006-03-09 | — | — | 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-20090053172-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR1 | CCR5 1/4885MEN1 4508/4885KMT2A 4579/4885 |
| US-20060052595-A1 | Heterocyclic compounds as ccr5 antagonists | CCR5, CXCR3, CCR1 | CCR5 1/4885MEN1 4508/4885KMT2A 4579/4885 |
“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.