Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL984260 | 0.92 | SLC6A2 (0.63) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL983580 | 0.86 | SLC6A2 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL981123 | 0.82 | KMT2A (0.45) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL984198 | 0.81 | CYP2D6 (0.64) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL982050 | 0.81 | SLC6A2 (0.64) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL984138 | 0.81 | SLC6A2 (0.66) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL980402 | 0.80 | SLC6A2 (0.63) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Indole SCHEMBL2794626 | 0.78 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL980929 | 0.78 | CYP2D6 (0.64) | CYP2D6SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL982082 | 0.78 | SLC6A2 (0.63) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 |
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 4 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 |
| 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 |
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.