Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 9/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL5794588 | 0.97 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3896842 | 0.94 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388428 | 0.94 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8113820 | 0.93 | TACR1 (0.98) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404096 | 0.90 | TACR1 (0.91) | TACR1SLC6A4 | |
| SCHEMBL1388258 | 0.88 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404164 | 0.87 | TACR1 (0.85) | TACR1SLC6A4 | |
| SCHEMBL5796290 | 0.86 | TACR1 (0.80) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404098 | 0.86 | TACR1 (0.85) | TACR1SLC6A4 | |
| SCHEMBL8105654 | 0.85 | TACR1 (1.00) | TACR1SLC6A4KCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7494986-B2 | Cycloalkylamine derivatives as NK-1/SSRI antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-24 | — | — | US | disclosed |
| US-7494986-B2 | Cycloalkylamine derivatives as NK-1/SSRI antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-24 | — | — | US | disclosed |
| US-7494986-B2 | Cycloalkylamine derivatives as NK-1/SSRI antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-24 | — | — | US | disclosed |
| WO-2006023187-A2 | CYCLOALKYLAMINE DERIVATIVES AS NK-1 /SSRI ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-03-02 | — | — | WO | disclosed |
| US-20060019992-A1 | Cycloalkylamine derivatives as NK-1/SSRI antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-26 | — | — | 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-20060019992-A1 | Cycloalkylamine derivatives as NK-1/SSRI antagonists | SLC6A4, SLC6A2, TPH1 | TACR1 22/4885SLC6A4 1/4885KCNH2 401/4885 |
“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.