Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 5/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12290792 | 0.95 | TACR1 (0.37) | TACR1HDAC2TP53CNR1CNR2 | |
| SCHEMBL2429429 | 0.95 | TACR1 (0.36) | TACR1HDAC2TP53CNR1CNR2 | |
| SCHEMBL2428543 | 0.92 | TACR1 (0.32) | TACR1SLC6A4KCNH2 | |
| SCHEMBL12290785 | 0.87 | USP1 (0.37) | TACR1HDAC2TP53CNR1CNR2 | |
| SCHEMBL12290791 | 0.87 | TACR1 (0.36) | TACR1HDAC2TP53CNR1CNR2 | |
| SCHEMBL2430195 | 0.86 | TACR1 (0.33) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2430431 | 0.86 | TACR1 (0.31) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2429401 | 0.85 | TACR1 (0.39) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2431443 | 0.83 | TACR1 (0.36) | TACR1HDAC2TP53CNR1CNR2 | |
| SCHEMBL2431447 | 0.83 | TACR1 (0.36) | TACR1HDAC2TP53CNR1CNR2 |
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-8026257-B2 | Substituted heterocyclic ethers and their use in CNS disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026257-B2 | Substituted heterocyclic ethers and their use in CNS disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-27 | — | — | US | disclosed |
| US-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-15 | — | — | US | disclosed |
| US-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-15 | — | — | US | disclosed |
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | 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-20090018132-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | CNR1, CNR2, PMP22 | TACR1 835/4885HDAC2 380/4885TP53 4790/4885 |
“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.