Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 4/20 | 0.41 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4147119 | 0.85 | RORC (0.41) | OPRD1OPRK1RORCSCD5TSHR | |
| SCHEMBL13950620 | 0.84 | TACR2 (0.36) | OPRD1OPRK1SMN1; SMN2 | |
| SCHEMBL4158586 | 0.80 | SCD5 (0.39) | OPRD1OPRK1RORCSCD5TSHR | |
| SCHEMBL3277361 | 0.78 | TACR1 (0.53) | OPRD1OPRK1RORCSCD5TSHR | |
| SCHEMBL3272198 | 0.75 | TACR1 (0.58) | OPRD1OPRK1TSHRALOX15ATM | |
| SCHEMBL28771155 | 0.74 | OPRD1 (0.44) | OPRD1OPRK1SCD5TSHRUSP2 | |
| SCHEMBL28785115 | 0.73 | GPR119 (0.42) | SCD5TSHRUSP2SMN1; SMN2ALOX15 | |
| SCHEMBL22449847 | 0.72 | TACR1 (0.47) | OPRD1OPRK1SCD5USP2SMN1; SMN2 | |
| SCHEMBL6910459 | 0.71 | TACR1 (0.56) | OPRD1OPRK1TSHRALOX15ATM | |
| SCHEMBL5621873 | 0.70 | TACR1 (0.53) | OPRD1OPRK1RORCSCD5TSHR |
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-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-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 |
| EP-1569931-B1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-10-08 | — | — | EP | disclosed |
| US-20060052595-A1 | Heterocyclic compounds as ccr5 antagonists | SMITHKLINE BEECHAM CORPORATION | 2006-03-09 | — | — | US | disclosed |
| EP-1569931-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004055011-A1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | 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 (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 | OPRD1 72/4885OPRK1 56/4885RORC 281/4885 |
| US-20060052595-A1 | Heterocyclic compounds as ccr5 antagonists | CCR5, CXCR3, CCR1 | OPRD1 72/4885OPRK1 56/4885RORC 281/4885 |
“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.