Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.45 |
| ▸ | TACR2 | P21452 | 16/20 | 0.45 |
| ▸ | TACR3 | P29371 | 2/20 | 0.45 |
| ▸ | TAC3 | Q9UHF0 | 6/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1422053 | 1.00 | TACR1 (0.45) | TACR1TACR2TACR3TAC3SLC6A2 | |
| SCHEMBL1975154 | 1.00 | TACR1 (0.45) | TACR1TACR2TACR3TAC3SLC6A2 | |
| SCHEMBL12517759 | 0.85 | TACR1 (0.59) | TACR1TACR2TACR3TAC3 | |
| SCHEMBL15751919 | 0.82 | TACR1 (0.54) | TACR1TACR2TACR3TAC3 | |
| SCHEMBL15751592 | 0.82 | TACR1 (0.54) | TACR1TACR2TACR3TAC3 | |
| SCHEMBL15751590 | 0.82 | CCR5 (0.46) | TACR1TACR2TACR3TAC3CCR2 | |
| SCHEMBL15751917 | 0.82 | CCR5 (0.46) | TACR1TACR2TACR3TAC3CCR2 | |
| SCHEMBL1975359 | 0.81 | TACR3 (0.58) | TACR1TACR2TACR3TAC3 | |
| SCHEMBL1422018 | 0.81 | TACR3 (0.58) | TACR1TACR2TACR3TAC3 | |
| SCHEMBL1975015 | 0.81 | TACR3 (0.58) | TACR1TACR2TACR3TAC3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404679-B2 | Pyrrolidine derivatives as NK2 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | BISSANTZ CATERINA (FR) | 2012-08-16 | — | — | US | disclosed |
| EP-2297098-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009153179-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |
| US-20090312327-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | US | 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-20090312327-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | TACR2, PRLHR, AVPR2 | TACR1 15/4885TACR2 1/4885TACR3 147/4885 |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | TACR2, PRLHR, AVPR2 | TACR1 15/4885TACR2 1/4885TACR3 147/4885 |
“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.