Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.55 |
| ▸ | ACACB | O00763 | 11/20 | 0.40 |
| ▸ | ACACA | Q13085 | 6/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL442649 | 0.91 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL443310 | 0.88 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL445124 | 0.81 | CYP2D6 (0.35) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415542 | 0.73 | CYP2D6 (0.54) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL443408 | 0.72 | SLC6A2 (0.53) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL415206 | 0.72 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL415289 | 0.72 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL413631 | 0.72 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL415365 | 0.71 | ACACB (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3ACACB | |
| SCHEMBL443130 | 0.71 | GPR119 (0.31) | CYP2D6SLC6A2SLC6A4SLC6A3 |
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-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | 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-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-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | disclosed |
| EP-2297096-A2 | ARYL KETONE AS MRI | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2009-12-24 | — | — | US | disclosed |
| WO-2009153178-A2 | ARYL KETONE AS MRI | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | 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 (3 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 |
| US-20090318493-A1 | Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | TPH2, TPH1, ADRA2C | CYP2D6 404/4885SLC6A2 71/4885SLC6A4 57/4885 |
“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.