Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | BACE1 | P56817 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3638100 | 1.00 | BCHE (0.54) | BCHEACHEBACE1SIGMAR1CHRM4 | |
| SCHEMBL2820374 | 1.00 | BCHE (0.54) | BCHEACHEBACE1SIGMAR1CHRM4 | |
| SCHEMBL3635928 | 0.94 | BCHE (0.53) | BCHEACHEBACE1SIGMAR1GRM5 | |
| SCHEMBL2817812 | 0.94 | BCHE (0.53) | BCHEACHEBACE1SIGMAR1GRM5 | |
| SCHEMBL2819952 | 0.92 | BCHE (0.51) | BCHEACHEBACE1SIGMAR1KDM4E | |
| SCHEMBL3632968 | 0.92 | BCHE (0.51) | BCHEACHEBACE1SIGMAR1KDM4E | |
| SCHEMBL3975652 | 0.92 | BCHE (0.51) | BCHEACHEBACE1SIGMAR1KDM4E | |
| SCHEMBL2817643 | 0.91 | BCHE (0.56) | BCHEACHEBACE1SIGMAR1CHRM4 | |
| SCHEMBL3637560 | 0.91 | BCHE (0.56) | BCHEACHEBACE1SIGMAR1CHRM4 | |
| SCHEMBL2817174 | 0.91 | BCHE (0.50) | BCHEACHEBACE1SIGMAR1CHRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7528136-B2 | for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD); 2-{4-[(2S,4S)-1-benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidine-2-carbonyl]-piperazin-1-yl}-benzonitrile | HOFFMANN-LA ROCHE INC. (US) | 2009-05-05 | — | — | US | disclosed |
| US-20080306086-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-11 | — | — | 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-20080306086-A1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | SLC6A3, OPRL1, OPRK1 | BCHE 2225/4885ACHE 548/4885BACE1 1862/4885 |
“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.