Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA4 | P22748 | 4/20 | 0.56 |
| ▸ | CA9 | Q16790 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | TACR1 | P25103 | 8/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.46 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.46 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.46 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.46 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5366437 | 0.92 | TACR1 (0.61) | CA1CA2CA4CA9LMNA | |
| SCHEMBL5520838 | 0.92 | TACR1 (0.61) | CA1CA2CA4CA9LMNA | |
| SCHEMBL5372140 | 0.90 | TACR1 (0.59) | CA1CA2CA4CA9LMNA | |
| SCHEMBL8481079 | 0.89 | TACR1 (0.64) | CA1CA2CA4CA9SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8479202 | 0.88 | TACR1 (0.63) | CA1CA2CA4CA9SIGMAR1 | |
| SCHEMBL7466315 | 0.86 | TACR1 (0.59) | CA1CA2CA4CA9LMNA | |
| SCHEMBL5365692 | 0.85 | CA1 (0.54) | CA1CA2CA4CA9LMNA | |
| SCHEMBL5375258 | 0.85 | CA1 (0.58) | CA1CA2CA4CA9LMNA | |
| SCHEMBL27484597 | 0.85 | CA1 (0.54) | CA1CA2CA4CA9LMNA | |
| SCHEMBL5519412 | 0.85 | CA1 (0.58) | CA1CA2CA4CA9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
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 | CA1 1513/4885CA2 824/4885CA4 2567/4885 |
| US-20030114668-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | TACR1, NPSR1, SSTR2 | CA1 1979/4885CA2 933/4885CA4 3224/4885 |
“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.