Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 19/20 | 0.75 |
| ▸ | SLC6A2 | P23975 | 18/20 | 0.75 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL634480 | 1.00 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL634478 | 1.00 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL634479 | 1.00 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL634687 | 1.00 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL3056462 | 0.88 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634954 | 0.88 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL3056459 | 0.88 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634952 | 0.88 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634953 | 0.88 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634955 | 0.88 | SLC6A4 (0.60) | SLC6A4SLC6A2SLC6A3CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2419405-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | Theravance, Inc. (US) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010120910-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | THERAVANCE, INC. (US) | 2010-10-21 | — | — | WO | disclosed |
| US-20100267743-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | THERAVANCE BIOPHARMA R&D IP, LLC | 2010-10-21 | — | — | 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 (1 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-20100267743-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | HTR3C, SLC6A2, ADRB3 | SLC6A4 7/4885SLC6A2 2/4885SLC6A3 10/4885 |
“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.