Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.69 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.69 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.69 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | PYGL | P06737 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL980898 | 0.87 | CYP2D6 (0.69) | CYP2D6SLC6A2SLC6A4SLC6A3NAMPT | |
| SCHEMBL982962 | 0.85 | CYP2D6 (0.52) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL980803 | 0.82 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3PYGL | |
| SCHEMBL2879409 | 0.79 | SLC6A2 (0.64) | CYP2D6SLC6A2SLC6A4SLC6A3GPR183 | |
| SCHEMBL984260 | 0.75 | SLC6A2 (0.63) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL980929 | 0.74 | CYP2D6 (0.64) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL984635 | 0.72 | CYP2D6 (0.62) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL982965 | 0.72 | SLC6A2 (0.81) | CYP2D6SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL981298 | 0.71 | NR3C1 (0.48) | CYP2D6KDM4EKMT2ANR3C1 | |
| SCHEMBL981130 | 0.71 | OPRM1 (0.53) | CYP2D6KDM4EKMT2ABACE1NR3C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2257545-B1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| EP-2257545-B1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| EP-2257545-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009115427-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009115427-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-24 | — | — | 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-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | SLC6A3, MAOB, TPH2 | CYP2D6 97/4885SLC6A2 6/4885SLC6A4 8/4885 |
“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.