Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | GFER | P55789 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 4/20 | 0.39 |
| ▸ | TACR2 | P21452 | 3/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668310 | 0.92 | ENPP2 (0.43) | CCR2GAAALDH1A1TDP1CCR5 | |
| SCHEMBL3638284 | 0.90 | ALDH1A1 (0.48) | CCR2GAAALDH1A1TACR3TACR2 | |
| SCHEMBL3635023 | 0.88 | KMT2A (0.48) | CCR2ALDH1A1TACR3TACR2TACR1 | |
| SCHEMBL3639350 | 0.88 | ENPP2 (0.45) | ALDH1A1CCR5TACR3TACR2TACR1 | |
| SCHEMBL3860538 | 0.88 | CCR5 (0.43) | CCR2ALDH1A1TDP1CCR5TACR3 | |
| SCHEMBL3642568 | 0.88 | TACR3 (0.40) | CCR2ALDH1A1CCR5TACR3TACR2 | |
| SCHEMBL3857063 | 0.87 | FPR3 (0.40) | CCR2MAPTALDH1A1TACR3TACR2 | |
| SCHEMBL3637285 | 0.87 | ALDH1A1 (0.52) | GAAALDH1A1CCR5TACR3TACR2 | |
| SCHEMBL3864938 | 0.86 | ALDH1A1 (0.43) | CCR2GAAALDH1A1TACR3TACR2 | |
| SCHEMBL3638939 | 0.85 | SIGMAR1 (0.42) | CCR2ALDH1A1TACR3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592345-B2 | Piperazine and [1,4]diazepan derivatives as NK antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592345-B2 | Piperazine and [1,4]diazepan derivatives as NK antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-7592345-B2 | Piperazine and [1,4]diazepan derivatives as NK antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-18 | — | — | US | disclosed |
| US-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-18 | — | — | US | disclosed |
| US-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-18 | — | — | US | 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-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | DRD3, KCND3, GRIN3A | CCR2 1257/4885GAA 847/4885GFER 4715/4885 |
“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.