Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 13/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 13/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 9/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 3/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19261793 | 0.76 | SLC6A4 (0.61) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL982068 | 0.76 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL7882959 | 0.75 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL983150 | 0.74 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| 5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982203 | 0.72 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| 5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982204 | 0.72 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| 5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982202 | 0.72 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL10043019 | 0.71 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL19237328 | 0.71 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL984468 | 0.71 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110021556-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMAN-LA ROCHE, INC. (US) | 2011-01-27 | — | — | US | claimed |
| 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 | SLC6A2 6/4885SLC6A4 8/4885SLC6A3 1/4885 |
“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.