Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4028493 | 1.00 | CCR5 (0.49) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| SCHEMBL13720260 | 1.00 | CCR5 (0.49) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| SCHEMBL3863093 | 1.00 | CCR5 (0.49) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| SCHEMBL988877 | 1.00 | CCR5 (0.49) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| Hydrochloric Acid SCHEMBL1573806 | 0.99 | CCR5 (0.48) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| Hydrochloric Acid SCHEMBL3525571 | 0.99 | CCR5 (0.48) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| Hydrochloric Acid SCHEMBL4160408 | 0.99 | CCR5 (0.48) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| SCHEMBL1573774 | 0.87 | CCR5 (0.44) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| SCHEMBL1573991 | 0.87 | CCR5 (0.44) | CCR5CYP2D6LMNAKCNH2CYP11B2 | |
| SCHEMBL1573540 | 0.87 | CCR5 (0.44) | CCR5CYP2D6LMNAKCNH2CYP11B2 |
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 17 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-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-7569579-B2 | for inhibition of HIV replication and treatment of acquired immune deficiency syndrome | SMITHKLINE BEECHAM CORPORATION (US) | 2009-08-04 | — | — | 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-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| US-20060052408-A1 | Cyclopropyl compounds as ccr5 antagonists | SMITHKLINE BEECHAM CORPORATION | 2006-03-09 | — | — | US | disclosed |
| EP-1569934-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004055010-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |
| US-6531484-B2 | Viricides for preventing infection by HIV, treating infection by HIV, delaying of the onset of AIDS, or treating AIDS | MERCK & CO., INC. | 2003-03-11 | — | — | 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 1/4885CYP2D6 1070/4885LMNA 4259/4885 |
| US-20060052408-A1 | Cyclopropyl compounds as ccr5 antagonists | CCR5, CCR1, CCL5 | CCR5 1/4885CYP2D6 1373/4885LMNA 4506/4885 |
“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.