Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | TSPO | P30536 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136056 | 0.92 | C5AR1 (0.56) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL6259390 | 0.92 | C5AR1 (0.56) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL6342639 | 0.92 | C5AR1 (0.56) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL5135442 | 0.91 | C5AR1 (0.53) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL5135999 | 0.91 | C5AR1 (0.55) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL5134970 | 0.91 | C5AR1 (0.56) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL5136745 | 0.90 | C5AR1 (0.54) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL5135850 | 0.90 | C5AR1 (0.57) | C5AR1THRBOPRM1HDAC8ALDH1A1 | |
| SCHEMBL5134974 | 0.89 | C5AR1 (0.53) | C5AR1OPRM1HDAC8ALDH1A1MEN1 | |
| SCHEMBL5134943 | 0.89 | C5AR1 (0.57) | C5AR1THRBOPRM1HDAC8ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1487798-A4 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2005-07-13 | — | — | EP | claimed |
| EP-1487798-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2004-12-22 | — | — | EP | claimed |
| US-6777422-B2 | FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NEUROGEN CORP. | 2004-08-17 | — | — | US | claimed |
| US-20040006069-A1 | Substituted tetrahydroisoquinolines as C5a receptor modulators | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2004-01-08 | — | — | US | claimed |
| WO-2003082828-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2003-10-09 | — | — | WO | claimed |
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| US-6916830-B2 | Substituted tetrahydroisoquinolines as C5a receptor modulators | NEUROGEN CORPORATION (US) | 2005-07-12 | — | — | US | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| US-6777422-B2 | FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NEUROGEN CORP. | 2004-08-17 | — | — | US | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | 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-20040006069-A1 | Substituted tetrahydroisoquinolines as C5a receptor modulators | C5AR1, C3AR1, C5AR2 | C5AR1 1/4885THRB 497/4885OPRM1 548/4885 |
“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.