Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | SELL | P14151 | 1/20 | 0.33 |
| ▸ | SELP | P16109 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1299112 | 1.00 | BTK (0.44) | BTKKMT2ASMN1; SMN2S1PR5HSD17B10 | |
| SCHEMBL8585947 | 1.00 | BTK (0.44) | BTKKMT2ASMN1; SMN2S1PR5HSD17B10 | |
| SCHEMBL16324322 | 0.92 | BTK (0.50) | BTKKMT2ASMN1; SMN2S1PR5HSD17B10 | |
| SCHEMBL17728324 | 0.92 | BTK (0.50) | BTKKMT2ASMN1; SMN2S1PR5HSD17B10 | |
| SCHEMBL7380787 | 0.90 | EPHX1 (0.38) | BTKKMT2AALDH1A1GAAEPHX1 | |
| SCHEMBL3642408 | 0.87 | HRH3 (0.38) | BTKKMT2ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL4798693 | 0.86 | SMN1; SMN2 (0.39) | BTKKMT2ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL11366947 | 0.83 | BTK (0.45) | BTKKMT2AGAAEPHX1HRH3 | |
| SCHEMBL7277999 | 0.83 | EPHX1 (0.46) | BTKKMT2AALDH1A1GAAEPHX1 | |
| SCHEMBL66648 | 0.82 | SMYD3 (0.39) | BTKGAAEPHX1HRH3METAP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8063075-B2 | Pyrrolidine ether derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2294063-B1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-11-02 | — | — | EP | disclosed |
| EP-2294063-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009150110-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | WO | disclosed |
| US-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-12-10 | — | — | US | disclosed |
| US-7442791-B2 | Aminoalkylamide substituted cyclohexyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-10-28 | — | — | US | disclosed |
| EP-1667962-A1 | AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005028427-A1 | AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-31 | — | — | WO | disclosed |
| US-20050065210-A1 | Aminoalkylamide substituted cyclohexyl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-24 | — | — | US | disclosed |
| WO-1998029136-A1 | STABILIZED TRICYCLIC COMPOUND | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-07-09 | — | — | WO | disclosed |
| EP-0826686-A2 | Tricyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-04 | — | — | EP | 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-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | OPRK1, OPRL1, OPRD1 | BTK 1658/4885KMT2A 815/4885SMN1; SMN2 1553/4885 |
| US-20050065210-A1 | Aminoalkylamide substituted cyclohexyl derivatives | LSS, CYP51A1, CYP46A1 | BTK 920/4885KMT2A 1378/4885SMN1; SMN2 4827/4885 |
“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.