Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TACR3 | P29371 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3637175 | 1.00 | NPC1 (0.51) | NPC1HTR7GAAKMT2AALDH1A1 | |
| SCHEMBL2819947 | 0.94 | NPC1 (0.49) | NPC1HTR7GAAKMT2AALDH1A1 | |
| SCHEMBL2820035 | 0.90 | TACR3 (0.44) | GAAKMT2AALDH1A1TACR3POLB | |
| SCHEMBL3641111 | 0.90 | TACR3 (0.44) | GAAKMT2AALDH1A1TACR3POLB | |
| SCHEMBL2819005 | 0.88 | CHRM4 (0.43) | NPC1TACR3 | |
| SCHEMBL2817106 | 0.85 | CHRM4 (0.47) | KMT2AALDH1A1POLBMEN1SMN1; SMN2 | |
| SCHEMBL3638622 | 0.85 | CHRM4 (0.47) | KMT2AALDH1A1POLBMEN1SMN1; SMN2 | |
| SCHEMBL2821138 | 0.85 | CACNA1G (0.45) | NPC1GAAKMT2AALDH1A1TACR3 | |
| SCHEMBL2822473 | 0.84 | KMT2A (0.41) | KMT2AALDH1A1TACR3POLBMEN1 | |
| SCHEMBL3641058 | 0.84 | KMT2A (0.41) | KMT2AALDH1A1TACR3POLBMEN1 |
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 | NPC1 1504/4885HTR7 259/4885GAA 648/4885 |
“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.