Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.65 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1400959 | 0.90 | TACR1 (0.61) | TACR1GRIN1GRIN2BSIGMAR1BCHE | |
| SCHEMBL6440459 | 0.88 | TACR1 (0.64) | TACR1SIGMAR1BCHEACHEBACE1 | |
| SCHEMBL6439506 | 0.86 | TACR1 (0.54) | TACR1DRD2GRIN1GRIN2BSIGMAR1 | |
| SCHEMBL1617419 | 0.84 | TACR1 (0.50) | TACR1GRIN2DGRIN3BDRD2GRIN1 | |
| SCHEMBL1916289 | 0.82 | TACR1 (0.51) | TACR1SIGMAR1 | |
| SCHEMBL3997201 | 0.82 | TACR1 (0.52) | TACR1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL3290339 | 0.81 | TACR1 (0.52) | TACR1SIGMAR1 | |
| SCHEMBL3902021 | 0.79 | TACR1 (0.54) | TACR1SIGMAR1 | |
| SCHEMBL6405523 | 0.79 | TACR1 (1.00) | TACR1 | |
| SCHEMBL24036210 | 0.77 | TACR1 (0.62) | TACR1GRIN1GRIN2BSIGMAR1BCHE |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1229373-C | Piperidinee derivatives as neurokinin/antagonists | HOFFMANN LA ROCHE (CH) | 2005-11-30 | — | — | CN | disclosed |
| EP-1360184-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2005-03-30 | — | — | EP | disclosed |
| CN-1491222-A | piperidine derivatives as neurokinin 1 antagonists | - | 2004-04-21 | — | — | CN | disclosed |
| EP-1360184-A1 | PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-12 | — | — | EP | disclosed |
| US-6642226-B2 | Such as cis-(3,5-bis-trifluoromethyl-phenyl)-(4-(4-methyl-piperazin-1-yl),-3-phenyl -piperidin-1-yl)-methanone; for treatment of diseases related to neurokinin receptors | HOFFMAN-LA ROCHE INC. | 2003-11-04 | — | — | US | disclosed |
| US-20020151547-A1 | Substituted phenyl-piperidine methanone compounds | F.HOFFMANN-LA ROCHE AG (CH) | 2002-10-17 | — | — | US | disclosed |
| WO-2002062784-A1 | PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-15 | — | — | WO | 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-20020151547-A1 | Substituted phenyl-piperidine methanone compounds | TACR1, OPRK1, TACR2 | TACR1 1/4885GRIN2D 2280/4885GRIN3B 905/4885 |
“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.