Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 10/20 | 0.57 |
| ▸ | TACR1 | P25103 | 7/20 | 0.57 |
| ▸ | TACR2 | P21452 | 4/20 | 0.57 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3639751 | 0.97 | TACR3 (0.54) | TACR3TACR1TACR2RIPK1APAF1 | |
| SCHEMBL3856315 | 0.92 | TACR3 (0.54) | TACR3TACR1TACR2RIPK1APAF1 | |
| SCHEMBL3641840 | 0.91 | TACR3 (0.56) | TACR3TACR1TACR2APAF1UBE2N | |
| SCHEMBL3636715 | 0.89 | TACR2 (0.52) | TACR3TACR1TACR2RIPK1APAF1 | |
| SCHEMBL3666736 | 0.88 | TACR3 (0.54) | TACR3TACR1TACR2APAF1UBE2N | |
| SCHEMBL3855934 | 0.88 | TACR3 (0.54) | TACR3TACR1TACR2RIPK1APAF1 | |
| SCHEMBL3855942 | 0.88 | TACR3 (0.54) | TACR3TACR1TACR2RIPK1APAF1 | |
| SCHEMBL3860157 | 0.88 | TACR3 (0.54) | TACR3TACR1TACR2RIPK1APAF1 | |
| SCHEMBL3634137 | 0.87 | TACR3 (0.59) | TACR3TACR1TACR2APAF1UBE2N | |
| SCHEMBL3675253 | 0.87 | TACR3 (0.55) | TACR3TACR1TACR2APAF1UBE2N |
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 | TACR3 107/4885TACR1 21/4885TACR2 30/4885 |
“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.