Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 3/20 | 0.48 |
| ▸ | TACR1 | P25103 | 3/20 | 0.48 |
| ▸ | TACR3 | P29371 | 3/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 15/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3858008 | 1.00 | TACR2 (0.48) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3635929 | 0.91 | TACR3 (0.56) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3634144 | 0.91 | TACR3 (0.56) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3856606 | 0.91 | TACR3 (0.56) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3635757 | 0.91 | TACR2 (0.53) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3635761 | 0.91 | TACR2 (0.53) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3636956 | 0.91 | TACR2 (0.53) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3642820 | 0.91 | TACR2 (0.54) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3642849 | 0.91 | TACR2 (0.54) | TACR2TACR1TACR3HSD11B1OPRK1 | |
| SCHEMBL3642822 | 0.91 | TACR2 (0.54) | TACR2TACR1TACR3HSD11B1OPRK1 |
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 2 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-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 | TACR2 30/4885TACR1 21/4885TACR3 107/4885 |
“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.