Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 15/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL415198 | 0.94 | CYP2D6 (0.56) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL413135 | 0.89 | CYP2D6 (0.74) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL415212 | 0.86 | CYP2D6 (0.53) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL413703 | 0.85 | CYP2D6 (0.56) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL413046 | 0.84 | SLC6A2 (0.80) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415124 | 0.84 | SLC6A2 (0.80) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL414142 | 0.84 | SLC6A2 (0.80) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL413052 | 0.81 | SLC6A2 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL414129 | 0.81 | CYP2D6 (0.60) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415193 | 0.79 | CYP2D6 (0.46) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | claimed |
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8513425-B2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2013-08-20 | — | — | US | disclosed |
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | IYER PRAVIN (US) | 2012-03-15 | — | — | US | disclosed |
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | IYER PRAVIN (US) | 2012-03-15 | — | — | US | disclosed |
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | IYER PRAVIN (US) | 2012-03-15 | — | — | US | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| EP-2354124-A2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2011-08-10 | — | — | EP | disclosed |
| EP-2354124-A2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2011-08-10 | — | — | EP | disclosed |
| EP-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | disclosed |
| EP-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | disclosed |
| WO-2008074703-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-26 | — | — | WO | disclosed |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | disclosed |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | 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-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | CNKSR1, RB1, AR | CYP2D6 227/4885SLC6A2 4870/4885SLC6A4 4855/4885 |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | CNKSR1, RB1, AR | CYP2D6 227/4885SLC6A2 4870/4885SLC6A4 4855/4885 |
“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.