Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | BACE1 | P56817 | 2/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2821338 | 0.91 | DRD2 (0.44) | BCHEACHEBACE1CHRM4DPP4 | |
| SCHEMBL13841884 | 0.91 | DRD2 (0.44) | BCHEACHEBACE1CHRM4DPP4 | |
| SCHEMBL2839427 | 0.90 | BCHE (0.46) | BCHEACHEBACE1CHRM4DPP4 | |
| SCHEMBL2839423 | 0.90 | BCHE (0.46) | BCHEACHEBACE1CHRM4DPP4 | |
| SCHEMBL2821782 | 0.87 | DPP4 (0.45) | CHRM4KDM1ADPP4DRD2DRD4 | |
| SCHEMBL2820849 | 0.87 | CHRM4 (0.47) | BCHEACHEBACE1CHRM4DPP4 | |
| SCHEMBL2818171 | 0.85 | C5AR1 (0.44) | CHRM4CHRM2DPP4CHRM5CHRM1 | |
| SCHEMBL2817861 | 0.85 | TACR1 (0.42) | CHRM4KDM1ADPP4P2RY12DRD2 | |
| SCHEMBL2841353 | 0.85 | TACR1 (0.42) | CHRM4KDM1ADPP4P2RY12DRD2 | |
| SCHEMBL2822155 | 0.85 | CHRM4 (0.44) | CHRM4DPP4DRD2DRD4 |
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-2155672-B1 | PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-10-27 | — | — | EP | disclosed |
| 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.