Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 3/20 | 0.63 |
| ▸ | CCR5 | P51681 | 6/20 | 0.62 |
| ▸ | RORC | P51449 | 3/20 | 0.61 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL417494 | 1.00 | GBA1 (0.63) | GBA1CCR5RORCFUCA1KDM1A | |
| SCHEMBL5235973 | 1.00 | GBA1 (0.63) | GBA1CCR5RORCFUCA1KDM1A | |
| SCHEMBL14921522 | 0.91 | RORC (0.59) | GBA1CCR5RORCFUCA1 | |
| SCHEMBL2780932 | 0.91 | RORC (0.59) | GBA1CCR5RORCFUCA1 | |
| SCHEMBL2781601 | 0.91 | RORC (0.59) | GBA1CCR5RORCFUCA1 | |
| SCHEMBL2780934 | 0.91 | RORC (0.59) | GBA1CCR5RORCFUCA1 | |
| SCHEMBL2820735 | 0.90 | RORC (0.58) | GBA1CCR5RORCFUCA1 | |
| SCHEMBL2820737 | 0.90 | RORC (0.58) | GBA1CCR5RORCFUCA1 | |
| SCHEMBL12303453 | 0.88 | CCR5 (0.59) | GBA1CCR5RORCFUCA1KDM1A | |
| SCHEMBL7829849 | 0.88 | CCR5 (0.59) | GBA1CCR5RORCFUCA1KDM1A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2398768-B1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2016-08-24 | — | — | EP | disclosed |
| US-8318759-B2 | Pyrrolidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-8318759-B2 | Pyrrolidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-8012998-B2 | Pyrrolidine aryl-ether as NK-3 receptor antagonists | Hoffmann—La Roche Inc. (US) | 2011-09-06 | — | — | US | disclosed |
| US-20100210659-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-08-19 | — | — | US | disclosed |
| US-20100210659-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-08-19 | — | — | US | disclosed |
| US-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | US | disclosed |
| EP-1009405-A4 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6166037-A | Pyrrolidine and piperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-1009405-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999009984-A1 | PYRROLIDINE AND PIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1999-03-04 | — | — | 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-20100210659-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | OPRL1, OPRK1, OPRD1 | GBA1 2541/4885CCR5 1616/4885RORC 1018/4885 |
| US-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | OPRL1, OPRK1, OPRD1 | GBA1 2182/4885CCR5 1518/4885RORC 517/4885 |
“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.