Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5639922 | 0.79 | NPY1R (0.39) | C5AR1TRPC5NPY1RCYP3A4CYP2D6 | |
| SCHEMBL3618774 | 0.78 | L3MBTL1 (0.54) | NPY1RCYP2D6KMT2A | |
| SCHEMBL3245339 | 0.78 | L3MBTL1 (0.54) | NPY1RCYP2D6KMT2A | |
| SCHEMBL3245199 | 0.78 | L3MBTL1 (0.54) | NPY1RCYP2D6KMT2A | |
| SCHEMBL5639237 | 0.78 | NPY1R (0.50) | NPY1R | |
| SCHEMBL5639916 | 0.78 | NPY1R (0.39) | SIRT1C5AR1TRPC5LMNAKCNK3 | |
| Hydrochloric Acid SCHEMBL12494266 | 0.77 | L3MBTL1 (0.53) | NPY1RCYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL12494265 | 0.77 | L3MBTL1 (0.53) | NPY1RCYP2D6KMT2A | |
| SCHEMBL12527918 | 0.77 | L3MBTL1 (0.56) | KMT2A | |
| SCHEMBL14001838 | 0.76 | APP (0.47) | MAPTLMNATHRBNPY1R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7220856-B2 | Substituted quinoline CCR5 receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-05-22 | — | — | US | disclosed |
| EP-1534681-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-01 | — | — | EP | disclosed |
| US-20040072818-A1 | Substituted quinoline CCR5 receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-04-15 | — | — | US | disclosed |
| WO-2004002960-A1 | SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-01-08 | — | — | 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-20040072818-A1 | Substituted quinoline CCR5 receptor antagonists | CCR5, CXCR3, CCR2 | SIRT1 1863/4885AADAT 3229/4885C5AR1 71/4885 |
“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.