Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL568885 | 0.87 | MEN1 (0.41) | MEN1CYP2C9KMT2AAKR1C1OPRM1 | |
| Hydrochloric Acid SCHEMBL28581691 | 0.85 | MEN1 (0.40) | MEN1CYP2C9KMT2AAKR1C1OPRM1 | |
| SCHEMBL1152247 | 0.83 | AKR1C1 (0.47) | AKR1C1HDAC4DPP4 | |
| SCHEMBL1553 | 0.83 | AKR1C1 (0.42) | MEN1CYP2C9KMT2AAKR1C1OPRM1 | |
| SCHEMBL1299548 | 0.81 | AKR1C1 (0.45) | MEN1KMT2AAKR1C1OPRM1HDAC4 | |
| Hydrochloric Acid SCHEMBL28589025 | 0.81 | AKR1C1 (0.41) | MEN1CYP2C9KMT2AAKR1C1OPRM1 | |
| Hydrochloric Acid SCHEMBL28579273 | 0.81 | AKR1C1 (0.45) | AKR1C1OPRM1HDAC4DPP4 | |
| Hydrochloric Acid SCHEMBL28583230 | 0.79 | OPRM1 (0.44) | MEN1KMT2AAKR1C1OPRM1HDAC4 | |
| SCHEMBL13922316 | 0.78 | HDAC4 (0.42) | MEN1CYP2C9KMT2AAKR1C1OPRM1 | |
| SCHEMBL22642450 | 0.78 | ALDH1A1 (0.41) | MEN1CYP2C9KMT2A |
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 | MEN1 3047/4885CYP2C9 2489/4885KMT2A 661/4885 |
“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.