Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1974850 | 1.00 | SIGMAR1 (0.47) | SIGMAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL2225316 | 1.00 | SIGMAR1 (0.47) | SIGMAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1976032 | 1.00 | SIGMAR1 (0.47) | SIGMAR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL2226675 | 0.90 | DPP4 (0.42) | SIGMAR1DPP4RORCKDM1ACCR5 | |
| SCHEMBL1974966 | 0.90 | DPP4 (0.42) | SIGMAR1DPP4RORCKDM1ACCR5 | |
| SCHEMBL1977456 | 0.90 | KDM1A (0.44) | SIGMAR1DPP4RORCKDM1ACCR5 | |
| SCHEMBL2228606 | 0.90 | KDM1A (0.44) | SIGMAR1DPP4RORCKDM1ACCR5 | |
| SCHEMBL2413984 | 0.89 | DPP4 (0.41) | SIGMAR1SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL1421844 | 0.88 | SLC6A2 (0.45) | SIGMAR1SLC6A2SLC6A4SLC6A3DPP4 | |
| SCHEMBL1975962 | 0.85 | RORC (0.48) | SIGMAR1DPP4RORCKDM1ACCR5 |
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-9226916-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-01-05 | — | — | US | disclosed |
| EP-2513052-B1 | PYRROLIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-06-04 | — | — | EP | disclosed |
| US-20130184249-A1 | PYRROLIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-07-18 | — | — | US | disclosed |
| US-8404679-B2 | Pyrrolidine derivatives as NK2 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| EP-2513052-A1 | PYRROLIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | BISSANTZ CATERINA (FR) | 2012-08-16 | — | — | US | disclosed |
| WO-2011085886-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |
| US-20110144081-A1 | PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-16 | — | — | US | 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 (4 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-20110144081-A1 | PYRROLIDINE DERIVATIVES | TACR1, OPRL1, SLC6A3 | SIGMAR1 158/4885SLC6A2 120/4885SLC6A4 125/4885 |
| US-20090312327-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | TACR2, PRLHR, AVPR2 | SIGMAR1 339/4885SLC6A2 248/4885SLC6A4 513/4885 |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | TACR2, PRLHR, AVPR2 | SIGMAR1 339/4885SLC6A2 248/4885SLC6A4 513/4885 |
| US-20130184249-A1 | PYRROLIDINE DERIVATIVES | TACR1, OPRL1, SLC6A3 | SIGMAR1 158/4885SLC6A2 120/4885SLC6A4 125/4885 |
“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.