Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 13/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.70 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | RBP4 | P02753 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12056971 | 0.94 | CYP2D6 (0.61) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL1971100 | 0.84 | CYP2D6 (0.52) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL446379 | 0.83 | SLC6A2 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL442471 | 0.79 | CYP2D6 (0.70) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL442245 | 0.76 | CYP2D6 (0.75) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL443933 | 0.76 | CYP2D6 (0.87) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL4140101 | 0.71 | HRH4 (0.56) | HRH4DRD3CNR2RBP4DAO | |
| SCHEMBL442539 | 0.71 | SLC6A2 (0.79) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL463906 | 0.70 | SLC6A2 (0.76) | CYP2D6SLC6A2SLC6A4SLC6A3HRH4 | |
| SCHEMBL415120 | 0.70 | CYP2D6 (1.00) | CYP2D6SLC6A2SLC6A4SLC6A3CNR2 |
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-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-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-2102157-B1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-06-22 | — | — | EP | 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.