Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 14/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.56 |
| ▸ | CCR1 | P32246 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6313749 | 1.00 | CXCR3 (0.77) | CXCR3CYP2D6EPHX2CCR1NPC1 | |
| SCHEMBL6313752 | 1.00 | CXCR3 (0.77) | CXCR3CYP2D6EPHX2CCR1NPC1 | |
| SCHEMBL6314473 | 0.92 | CXCR3 (0.75) | CXCR3CYP2D6EPHX2CCR1NPC1 | |
| SCHEMBL6314469 | 0.92 | CXCR3 (0.75) | CXCR3CYP2D6EPHX2CCR1NPC1 | |
| SCHEMBL6314461 | 0.92 | CXCR3 (0.75) | CXCR3CYP2D6EPHX2CCR1NPC1 | |
| SCHEMBL6315063 | 0.89 | CXCR3 (0.72) | CXCR3CYP2D6EPHX2SMN1; SMN2 | |
| SCHEMBL6315079 | 0.89 | CXCR3 (0.72) | CXCR3CYP2D6EPHX2SMN1; SMN2 | |
| SCHEMBL6315072 | 0.89 | CXCR3 (0.72) | CXCR3CYP2D6EPHX2SMN1; SMN2 | |
| SCHEMBL7174143 | 0.86 | CXCR3 (0.74) | CXCR3CYP2D6EPHX2CCR1NPC1 | |
| SCHEMBL7174149 | 0.86 | CXCR3 (0.74) | CXCR3CYP2D6EPHX2CCR1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050113414-A1 | 1-[1-((E)-1-Cyclooct-1-enyl)methylpiperidin-4-yl]-3-(3,4-dichlorophenyl)-urea; potent and selective modulators of CXCR3, a chemokine receptor; antagonists; treatment of conditions involving inappropriate T-cell trafficking; antiinflammatory, -arthritic agents, autoimmune diseases; antiallergens | CELLTECH R&D LIMITED (GB) | 2005-05-26 | — | — | US | disclosed |
| EP-1478359-A1 | PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | Celltech R & D Limited (GB) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003070242-A1 | PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | CELLTECH R & D LIMITED (GB) | 2003-08-28 | — | — | 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 (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-20050113414-A1 | 1-[1-((E)-1-Cyclooct-1-enyl)methylpiperidin-4-yl]-3-(3,4-dichlorophenyl)-urea; potent and selective modulators of CXCR3, a chemokine receptor; antagonists; treatment of conditions involving inappropriate T-cell trafficking; antiinflammatory, -arthritic agents, autoimmune diseases; antiallergens | CXCR3, ACKR3, CCR1 | CXCR3 1/4885CYP2D6 2370/4885EPHX2 1395/4885 |
“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.