Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30261840 | 0.83 | HDAC1 (0.57) | PARP1HDAC1ALDH1A1CYP2C19GPR119 | |
| SCHEMBL22570167 | 0.83 | HDAC1 (0.57) | PARP1HDAC1ALDH1A1CYP2C19GPR119 | |
| SCHEMBL30533239 | 0.80 | PARP1 (0.53) | PARP1HDAC1GPR119GRM2RET | |
| SCHEMBL29967319 | 0.80 | PARP1 (0.53) | PARP1HDAC1GPR119GRM2RET | |
| SCHEMBL4846555 | 0.80 | ALDH1A1 (0.51) | PARP1ALDH1A1HTR3EHTR3BCYP1A2 | |
| SCHEMBL2718590 | 0.80 | MAPT (0.54) | PARP1HDAC1ALDH1A1GPR119LMNA | |
| SCHEMBL30984738 | 0.80 | MAPT (0.54) | PARP1HDAC1ALDH1A1GPR119LMNA | |
| SCHEMBL1887804 | 0.80 | MAPT (0.54) | PARP1HDAC1ALDH1A1GPR119LMNA | |
| SCHEMBL18186221 | 0.79 | HSD11B1 (0.44) | PARP1HDAC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL18186222 | 0.79 | HSD11B1 (0.44) | PARP1HDAC1ALDH1A1CYP1A2CYP3A4 |
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-7329754-B2 | 2,5-diazabicyclo[2.2.1]heptane derivatives | NEUROSEARCH A/S (DK) | 2008-02-12 | — | — | US | disclosed |
| EP-1368348-B1 | NOVEL 2,5-DIAZABICYCLO(2.2.1)HEPTANE DERIVATIVES | NEUROSEARCH AS (DK) | 2005-01-19 | — | — | EP | disclosed |
| US-20040181069-A1 | Novel 2,5-diazabicyclo[2.2.1]heptane derivatives | DANPET AB (SE) | 2004-09-16 | — | — | US | disclosed |
| EP-1368348-A1 | NOVEL 2,5-DIAZABICYCLO(2.2.1)HEPTANE DERIVATIVES | NEUROSEARCH A/S (DK) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002070522-A1 | NOVEL 2,5-DIAZABICYCLO[2.2.1]HEPTANE DERIVATIVES | NEUROSEARCH A/S (DK) | 2002-09-12 | — | — | 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 (1 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-20040181069-A1 | Novel 2,5-diazabicyclo[2.2.1]heptane derivatives | CHRNA2, CHRNB2, CHRNA10 | PARP1 1579/4885HDAC1 2290/4885ALDH1A1 749/4885 |
“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.