Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 6/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GRM5 | P41594 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5123930 | 0.89 | HTR4 (0.44) | HTR4ADORA2BTSHRGRM5NPC1 | |
| SCHEMBL5123091 | 0.82 | GRM5 (0.43) | TSHRGRM5NPC1ALOX15ALDH1A1 | |
| SCHEMBL5118130 | 0.80 | GRM5 (0.48) | TSHRGRM5NPC1ALOX15MEN1 | |
| SCHEMBL5119504 | 0.79 | EPHX2 (0.46) | TSHRGRM5NPC1ALOX15GAA | |
| SCHEMBL5129292 | 0.78 | KDM4E (0.51) | GRM5NPC1MEN1ALDH1A1KMT2A | |
| SCHEMBL5121696 | 0.78 | GRM5 (0.46) | TSHRGRM5NPC1ALOX15ALDH1A1 | |
| SCHEMBL5121839 | 0.77 | MGLL (0.46) | TSHRGRM5NPC1ALOX15MEN1 | |
| SCHEMBL5129000 | 0.77 | GRM5 (0.52) | GRM5MEN1ALDH1A1KMT2A | |
| SCHEMBL5129768 | 0.77 | GRM5 (0.54) | GRM5ALDH1A1 | |
| SCHEMBL15650482 | 0.77 | LRRK2 (0.55) | HTR4GAAMEN1CYP3A4HTR3A |
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-20080269250-A1 | Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists | NOVARTIS AG (CH) | 2008-10-30 | — | — | US | disclosed |
| EP-1856107-A1 | PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS | Novartis AG (CH) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006089700-A1 | PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS | NOVARTIS AG (CH) | 2006-08-31 | — | — | 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-20080269250-A1 | Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists | GRM5, GRIK5, GRM1 | HTR4 409/4885ADORA2B 347/4885TSHR 1151/4885 |
“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.