Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2861457 | 0.80 | CYP1A2 (1.00) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL15051509 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL30639429 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| Hydrochloric Acid SCHEMBL6121350 | 0.78 | CYP1A2 (0.95) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL7214218 | 0.77 | CYP1A2 (0.77) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL1037867 | 0.77 | CYP1A2 (0.77) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL4029283 | 0.77 | CYP2D6 (0.48) | CYP1A2CYP2D6ALDH1A1TDP1LTA4H | |
| SCHEMBL10054984 | 0.76 | CYP1A2 (0.91) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL29875178 | 0.76 | CYP1A2 (0.83) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL19031318 | 0.76 | CYP1A2 (0.83) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 |
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 | CYP1A2 1791/4885CYP2D6 2555/4885ALDH1A1 2608/4885 |
| US-20030114668-A1 | AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | TACR1, NPSR1, SSTR2 | CYP1A2 1082/4885CYP2D6 1970/4885ALDH1A1 1903/4885 |
“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.