Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2769377 | 0.86 | KCNH2 (0.61) | CCR5KCNH2GPR119 | |
| Hydrochloric Acid SCHEMBL4025121 | 0.85 | KCNH2 (0.60) | CCR5KCNH2GPR119 | |
| SCHEMBL13543039 | 0.84 | KCNH2 (0.51) | CCR5KCNH2GPR119 | |
| SCHEMBL13543041 | 0.83 | SMN1; SMN2 (0.57) | CCR5KCNH2 | |
| SCHEMBL4161072 | 0.83 | CCR5 (0.49) | CCR5KCNH2 | |
| SCHEMBL13543038 | 0.82 | CCR5 (0.61) | CCR5 | |
| SCHEMBL13543036 | 0.81 | CCR5 (0.42) | CCR5KCNH2 | |
| Hydrochloric Acid SCHEMBL7136170 | 0.81 | CCR5 (0.60) | CCR5 | |
| SCHEMBL6702550 | 0.81 | CCR5 (0.57) | CCR5KCNH2GPR119 | |
| SCHEMBL6701416 | 0.80 | CCR5 (0.75) | CCR5KCNH2GPR119 |
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 18 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-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-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 |
| 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-20040110952-A1 | N-4-piperidinyl compounds as ccr5 modulators | ASTRAZENECA AB (SE) | 2004-06-10 | — | — | US | disclosed |
| US-20040006081-A1 | Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity | ASTRAZENECA AB (SE) | 2004-01-08 | — | — | US | disclosed |
| EP-1368314-A1 | N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS | AstraZeneca AB (SE) | 2003-12-10 | — | — | EP | disclosed |
| EP-1289957-A1 | PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2003-03-12 | — | — | EP | disclosed |
| WO-2002070479-A1 | N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS | ASTRAZENECA AB (SE) | 2002-09-12 | — | — | WO | disclosed |
| WO-2001087839-A1 | PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | WO | 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 (3 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 1/4885KCNH2 4077/4885GPR119 175/4885 |
| US-20040110952-A1 | N-4-piperidinyl compounds as ccr5 modulators | CCR5, CCL5, CCR2 | CCR5 1/4885KCNH2 2789/4885GPR119 332/4885 |
| US-20040006081-A1 | Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity | CCR5, CCR2, CCR1 | CCR5 1/4885KCNH2 3181/4885GPR119 169/4885 |
“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.