Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 2/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12707107 | 1.00 | POLB (0.34) | POLBMGLLALDH1A1GAAPKM | |
| SCHEMBL12707095 | 0.92 | GAA (0.35) | POLBMGLLALDH1A1GAAPKM | |
| SCHEMBL1016803 | 0.92 | GAA (0.35) | POLBMGLLALDH1A1GAAPKM | |
| SCHEMBL1016845 | 0.85 | POLB (0.39) | POLBALDH1A1GAANPC1KDM4E | |
| SCHEMBL1603598 | 0.85 | TMEM97 (0.39) | POLBMGLLALDH1A1GAAPKM | |
| SCHEMBL1020433 | 0.85 | KMT2A (0.42) | ALDH1A1GAAPKMMAPTHSD17B10 | |
| SCHEMBL12707120 | 0.85 | KMT2A (0.42) | ALDH1A1GAAPKMMAPTHSD17B10 | |
| SCHEMBL12707109 | 0.80 | CARM1 (0.41) | ALDH1A1GAAPKMHSD17B10KDM4E | |
| SCHEMBL1604154 | 0.80 | CARM1 (0.41) | ALDH1A1GAAPKMHSD17B10KDM4E | |
| SCHEMBL1018774 | 0.79 | KDM2B (0.38) | ALDH1A1GAAPKMNPC1HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | LIGAND PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| EP-1998620-B1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2011-01-12 | — | — | EP | disclosed |
| US-7795262-B2 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORPORATION (US) | 2010-09-14 | — | — | US | disclosed |
| US-20070232591-A1 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORPORATION | 2007-10-04 | — | — | 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-20070232591-A1 | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | HRH3, HRH4, HRH1 | POLB 3403/4885MGLL 2755/4885ALDH1A1 1229/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | POLB 3403/4885MGLL 2755/4885ALDH1A1 1229/4885 |
“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.