Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 6/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2459044 | 0.81 | SIGMAR1 (0.65) | DRD4SIGMAR1FUCA1CYP1A2CYP3A4 | |
| SCHEMBL13597304 | 0.81 | ACHE (0.54) | DRD4SIGMAR1FUCA1CYP1A2CYP3A4 | |
| SCHEMBL3780157 | 0.80 | ACHE (0.59) | DRD4SIGMAR1LTA4HCYP1A2CYP3A4 | |
| SCHEMBL3789159 | 0.80 | ACHE (0.59) | DRD4SIGMAR1LTA4HCYP1A2CYP3A4 | |
| SCHEMBL1848011 | 0.80 | ACHE (0.59) | DRD4SIGMAR1LTA4HCYP1A2CYP3A4 | |
| SCHEMBL13597305 | 0.79 | DRD4 (0.49) | DRD4SIGMAR1FUCA1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27453916 | 0.78 | ACHE (0.58) | DRD4SIGMAR1LTA4HCYP1A2CYP3A4 | |
| SCHEMBL102338 | 0.77 | SIGMAR1 (0.71) | DRD4SIGMAR1ALDH1A1HRH3KDM4E | |
| SCHEMBL6200777 | 0.77 | SIGMAR1 (0.71) | DRD4SIGMAR1ALDH1A1HRH3KDM4E | |
| SCHEMBL1176957 | 0.77 | KDM4E (0.50) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013095275-A1 | NOVEL HEPATITIS C VIRUS INHIBITORS | MEDIVIR AB (SE) | 2013-06-27 | — | — | WO | disclosed |
| 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 | DRD4 1116/4885SIGMAR1 1572/4885FUCA1 2785/4885 |
| US-20030114668-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | TACR1, NPSR1, SSTR2 | DRD4 522/4885SIGMAR1 670/4885FUCA1 2412/4885 |
“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.