Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
| ▸ | CHRNG | P07510 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRND | Q07001 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL296103 | 0.77 | SLC6A4 (0.43) | BACE1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL8783063 | 0.73 | MMP2 (0.38) | CYP1A2 | |
| SCHEMBL296831 | 0.66 | CCR2 (0.49) | SLC6A4SLC6A3SLC6A2CCR2 | |
| SCHEMBL13279786 | 0.65 | SLC6A4 (0.41) | BACE1SLC6A4SLC6A3SLC6A2CHRNA1 | |
| SCHEMBL2171736 | 0.63 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL8202769 | 0.62 | SLC6A4 (0.42) | BACE1SLC6A4SLC6A3SLC6A2CHRNA1 | |
| SCHEMBL21926268 | 0.62 | SLC6A4 (0.42) | BACE1SLC6A4SLC6A3SLC6A2CHRNA1 | |
| SCHEMBL14625431 | 0.62 | SLC6A4 (0.50) | SLC6A4SLC6A3SLC6A2CCR2KCNH2 | |
| SCHEMBL542398 | 0.61 | LMNA (0.55) | BACE1SLC6A4SLC6A3SLC6A2CYP1A2 | |
| SCHEMBL30352803 | 0.61 | SLC6A4 (0.42) | BACE1SLC6A4SLC6A3SLC6A2CHRNA1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200982-B1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-03-14 | — | — | EP | disclosed |
| US-20110021565-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | KNUST HENNER | 2011-01-27 | — | — | US | disclosed |
| EP-2200982-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-06-30 | — | — | EP | disclosed |
| EP-2167509-A1 | PIPERAZINE AND Ý1,4¨DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-03-31 | — | — | EP | disclosed |
| US-7592345-B2 | Piperazine and [1,4]diazepan derivatives as NK antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-09-22 | — | — | US | disclosed |
| WO-2009033995-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-03-19 | — | — | WO | disclosed |
| US-20090076081-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-03-19 | — | — | US | disclosed |
| US-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-18 | — | — | US | disclosed |
| WO-2008151969-A1 | PIPERAZINE AND [1,4] DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-18 | — | — | 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 (3 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 | BACE1 1181/4885SLC6A4 373/4885SLC6A3 15/4885 |
| US-20090076081-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | DRD2, DRD3, OPRL1 | BACE1 2435/4885SLC6A4 201/4885SLC6A3 14/4885 |
| US-20110021565-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | DRD2, DRD3, OPRL1 | BACE1 2435/4885SLC6A4 201/4885SLC6A3 14/4885 |
“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.