Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12707139 | 1.00 | ALDH1A1 (0.34) | ALDH1A1GAASMN1; SMN2CHRM2CHRM4 | |
| SCHEMBL1017308 | 0.84 | CHRM2 (0.34) | ALDH1A1GAASMN1; SMN2CHRM2CHRM4 | |
| SCHEMBL1018562 | 0.84 | ADRA1A (0.36) | ALDH1A1GAASMN1; SMN2CHRM2CHRM4 | |
| SCHEMBL12707147 | 0.84 | CHRM2 (0.34) | ALDH1A1GAASMN1; SMN2CHRM2CHRM4 | |
| SCHEMBL12707157 | 0.84 | ADRA1A (0.36) | ALDH1A1GAASMN1; SMN2CHRM2CHRM4 | |
| SCHEMBL1016304 | 0.83 | HRH3 (0.43) | ALDH1A1GAAHRH3HSD17B10PKM | |
| SCHEMBL1019918 | 0.83 | ADRA1A (0.36) | ALDH1A1GAASMN1; SMN2PDCD1CD274 | |
| SCHEMBL1013680 | 0.83 | ALDH1A1 (0.39) | ALDH1A1GAANPC1RAB9AHSD17B10 | |
| SCHEMBL12707155 | 0.83 | ALDH1A1 (0.39) | ALDH1A1GAANPC1RAB9AHSD17B10 | |
| SCHEMBL12707159 | 0.83 | ADRA1A (0.36) | ALDH1A1GAASMN1; SMN2PDCD1CD274 |
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 | ALDH1A1 1229/4885GAA 2016/4885SMN1; SMN2 1615/4885 |
| US-20110082130-A1 | PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES | HRH3, HRH4, HRH1 | ALDH1A1 1229/4885GAA 2016/4885SMN1; SMN2 1615/4885 |
“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.