Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.70 |
| ▸ | CCR5 | P51681 | 4/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3548256 | 0.88 | CCR5 (0.63) | DPP4CCR5SIGMAR1DRD2TP53 | |
| SCHEMBL18435473 | 0.87 | DPP4 (0.61) | DPP4CCR5SIGMAR1DRD3HTR2C | |
| SCHEMBL1202870 | 0.87 | DPP4 (0.61) | DPP4CCR5SIGMAR1DRD3HTR2C | |
| SCHEMBL13229945 | 0.87 | DPP4 (0.61) | DPP4CCR5SIGMAR1DRD3HTR2C | |
| SCHEMBL1202868 | 0.87 | DPP4 (0.61) | DPP4CCR5SIGMAR1DRD3HTR2C | |
| SCHEMBL15716274 | 0.87 | DPP4 (0.61) | DPP4CCR5SIGMAR1DRD3HTR2C | |
| SCHEMBL527519 | 0.85 | CCR5 (0.61) | DPP4CCR5DRD2DRD3ALDH1A1 | |
| SCHEMBL527518 | 0.85 | CCR5 (0.61) | DPP4CCR5DRD2DRD3ALDH1A1 | |
| SCHEMBL527520 | 0.85 | CCR5 (0.61) | DPP4CCR5DRD2DRD3ALDH1A1 | |
| SCHEMBL1202764 | 0.84 | DPP4 (0.67) | DPP4CCR5SIGMAR1DRD2DRD3 |
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-2364295-B1 | 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | disclosed |
| US-8293770-B2 | Pyrrolidine derivatives as NK-3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-10-23 | — | — | US | disclosed |
| US-8022099-B2 | N-benzyl pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-09-20 | — | — | US | disclosed |
| EP-2364295-A1 | 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-09-14 | — | — | EP | disclosed |
| EP-2331500-A1 | PYRROLIDINE N-BENZYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-06-15 | — | — | EP | disclosed |
| US-20100168088-A1 | PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | US | disclosed |
| WO-2010060703-A1 | 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-03 | — | — | WO | disclosed |
| US-20100113424-A1 | N-BENZYL PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | US | disclosed |
| WO-2010040663-A1 | PYRROLIDINE N-BENZYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-15 | — | — | 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-20100168088-A1 | PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | OPRK1, OPRL1, OPRD1 | DPP4 2359/4885CCR5 934/4885SIGMAR1 91/4885 |
| US-20100113424-A1 | N-BENZYL PYRROLIDINE DERIVATIVES | OPRK1, OPRD1, OPRL1 | DPP4 2107/4885CCR5 1534/4885SIGMAR1 166/4885 |
“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.