Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 4/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.52 |
| ▸ | GRM5 | P41594 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3145363 | 0.88 | AR (0.51) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3154856 | 0.88 | SCD (0.58) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3151294 | 0.87 | AR (0.54) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3156342 | 0.86 | AR (0.59) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3154051 | 0.86 | AR (0.53) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3148051 | 0.85 | AR (0.51) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3152097 | 0.85 | AR (0.52) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3152164 | 0.82 | GRM5 (0.62) | SCDARHDAC2HDAC3HDAC4 | |
| SCHEMBL3146713 | 0.80 | LMNA (0.51) | SCDHDAC2HDAC3HDAC4HDAC1 | |
| SCHEMBL3152322 | 0.78 | AR (0.55) | ARHDAC2HDAC3HDAC4HDAC1 |
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-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | claimed |
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | claimed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | claimed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | claimed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | WO | claimed |
| EP-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | disclosed |
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | 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-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRM5, GRIK5, GRM1 | SCD 3019/4885AR 2950/4885HDAC2 1911/4885 |
“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.