Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.68 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | CXCR3 | P49682 | 5/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | PTPN6 | P29350 | 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 | |
|---|---|---|---|---|
| SCHEMBL4016663 | 0.86 | CA12 (0.56) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL29200534 | 0.85 | PTPN2 (0.70) | EPHX2ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL4132566 | 0.85 | CA12 (0.71) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL4015870 | 0.84 | CA12 (0.59) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL14997508 | 0.83 | CA12 (0.71) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL5001323 | 0.83 | EPHX2 (0.68) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL28834250 | 0.82 | ALDH1A1 (0.60) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL28834253 | 0.82 | ALDH1A1 (0.60) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL25401462 | 0.82 | CA12 (0.70) | EPHX2CA12CA1CA2CA9 | |
| SCHEMBL2955532 | 0.82 | CA12 (0.70) | EPHX2CA12CA1CA2CA9 |
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 | EPHX2 1395/4885CA12 3739/4885CA1 2470/4885 |
“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.