Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL320608 | 0.87 | S1PR5 (0.32) | S1PR5 | |
| SCHEMBL21138086 | 0.85 | IDO1 (0.31) | HTR2CIDO1TDO2 | |
| SCHEMBL3742950 | 0.80 | HTR2C (0.46) | HTR2C | |
| SCHEMBL14530298 | 0.80 | HTR2C (0.46) | S1PR5HTR2C | |
| Hydrochloric Acid SCHEMBL2800247 | 0.79 | HTR2C (0.44) | HTR2C | |
| Hydrochloric Acid SCHEMBL2803816 | 0.79 | HTR2C (0.44) | S1PR5HTR2C | |
| SCHEMBL321040 | 0.78 | S1PR5 (0.40) | S1PR5SCN9A | |
| SCHEMBL25342180 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL10266025 | 0.75 | S1PR5 (0.33) | S1PR5IDO1TDO2 | |
| SCHEMBL31310218 | 0.74 | BACE1 (0.46) | S1PR5BACE1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7834008-B2 | neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide | H. LUNDBECK A/S (DK) | 2010-11-16 | — | — | US | disclosed |
| US-7384957-B2 | 3,4-dihydro-1H-isoquinolin-2-yl-derivatives | H. LUNDBECK A/S (DK) | 2008-06-10 | — | — | US | disclosed |
| US-20060281746-A1 | Cyclopropyl derivatives as nk3 receptor antagonists | H. LUNDBECK A/S (DK) | 2006-12-14 | — | — | US | disclosed |
| EP-1656349-A1 | CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | H. Lundbeck A/S (DK) | 2006-05-17 | — | — | EP | disclosed |
| US-20050070713-A1 | 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives | H. LUNDBECK A/S (DK) | 2005-03-31 | — | — | US | disclosed |
| WO-2005016884-A1 | CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | H. LUNDBECK A/S (DK) | 2005-02-24 | — | — | WO | disclosed |
| EP-1458714-A1 | 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES | H. Lundbeck A/S (DK) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051869-A1 | 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES | H. LUNDBECK A/S (DK) | 2003-06-26 | — | — | 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 (2 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-20050070713-A1 | 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives | KCNJ2, KCNK2, KCNJ11 | S1PR5 784/4885BACE1 4088/4885HTR2C 504/4885 |
| US-20060281746-A1 | Cyclopropyl derivatives as nk3 receptor antagonists | TACR2, SLC6A3, TACR1 | S1PR5 184/4885BACE1 3674/4885HTR2C 708/4885 |
“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.