Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 2/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5363650 | 0.91 | PARP1 (0.54) | PARP1NR1H2NR1H3CYP3A4HCRTR1 | |
| SCHEMBL874327 | 0.87 | PARP1 (0.56) | PARP1NR1H2NR1H3CYP3A4HCRTR1 | |
| SCHEMBL873311 | 0.86 | DPP4 (0.50) | PARP1NR1H2NR1H3CYP3A4HCRTR1 | |
| SCHEMBL15205855 | 0.85 | PARP1 (0.56) | PARP1NR1H2NR1H3DPP4CA1 | |
| SCHEMBL873810 | 0.84 | PARP1 (0.55) | PARP1NR1H2NR1H3DPP4CA1 | |
| SCHEMBL5359873 | 0.84 | PARP1 (0.55) | PARP1NR1H2NR1H3DPP4CA1 | |
| SCHEMBL27933734 | 0.84 | PARP1 (0.55) | PARP1NR1H2NR1H3DPP4CA1 | |
| SCHEMBL873458 | 0.84 | PARP1 (0.54) | PARP1NR1H2NR1H3DPP4CA1 | |
| SCHEMBL4309187 | 0.84 | PARP1 (0.54) | PARP1NR1H2NR1H3DPP4CA1 | |
| SCHEMBL873429 | 0.84 | PARP1 (0.54) | PARP1NR1H2NR1H3DPP4CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6924278-B2 | Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-08-02 | — | — | US | disclosed |
| US-20050027121-A1 | Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-02-03 | — | — | US | disclosed |
| US-20030114668-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-0993457-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057954-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-12-23 | — | — | 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 (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-20050027121-A1 | Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists | TAC3, TACR1, SSTR5 | PARP1 3413/4885NR1H2 1872/4885NR1H3 2768/4885 |
| US-20030114668-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | TACR1, NPSR1, SSTR2 | PARP1 2781/4885NR1H2 1018/4885NR1H3 1490/4885 |
“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.