Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BUB1 | O43683 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 6/20 | 0.36 |
| ▸ | DRD4 | P21917 | 6/20 | 0.36 |
| ▸ | DRD3 | P35462 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NMT2 | O60551 | 1/20 | 0.35 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6092747 | 0.99 | BUB1 (0.39) | BUB1KDM4EMEN1KMT2ABCHE | |
| SCHEMBL6094182 | 0.93 | BUB1 (0.35) | BUB1BCHEACHEALDH1A1NMT2 | |
| SCHEMBL6095877 | 0.88 | BUB1 (0.38) | BUB1 | |
| SCHEMBL6093349 | 0.87 | BUB1 (0.40) | BUB1 | |
| Hydrochloric Acid SCHEMBL6093962 | 0.87 | BUB1 (0.38) | BUB1 | |
| Hydrochloric Acid SCHEMBL6095779 | 0.87 | BUB1 (0.39) | BUB1 | |
| SCHEMBL6094509 | 0.86 | BUB1 (0.39) | BUB1 | |
| SCHEMBL6093454 | 0.86 | BUB1 (0.39) | BUB1KDM4E | |
| SCHEMBL6092899 | 0.86 | BUB1 (0.38) | BUB1 | |
| Hydrochloric Acid SCHEMBL6094534 | 0.85 | BUB1 (0.38) | BUB1KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050014939-A1 | Fused pyrrolecarboxamides: GABA brain receptor ligands | NEUROGEN CORPORATION | 2005-01-20 | — | — | US | claimed |
| US-20030153754-A1 | Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE | 2003-08-14 | — | — | US | claimed |
| EP-1210328-A1 | FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2002-06-05 | — | — | EP | claimed |
| US-20010029299-A1 | Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands | NEUROGEN | 2001-10-11 | — | — | US | claimed |
| WO-2001016103-A1 | FUSED PYRROLECARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2001-03-08 | — | — | WO | claimed |
| US-7109351-B1 | Fused pyrrolecarboxamides; GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 2006-09-19 | — | — | US | disclosed |
| US-20050014939-A1 | Fused pyrrolecarboxamides: GABA brain receptor ligands | NEUROGEN CORPORATION | 2005-01-20 | — | — | US | disclosed |
| US-20030153754-A1 | Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE | 2003-08-14 | — | — | US | disclosed |
| US-6515140-B2 | Psychological disorders; sleep disorders; anticonvulsants; cognition activators; drug abruse | NEUROGEN CORPORATION | 2003-02-04 | — | — | US | disclosed |
| US-20010029299-A1 | Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands | NEUROGEN | 2001-10-11 | — | — | US | disclosed |
| US-6211365-B1 | BRAIN DISORDERS | NEUROGEN CORPORATION | 2001-04-03 | — | — | 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 (3 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-20050014939-A1 | Fused pyrrolecarboxamides: GABA brain receptor ligands | GABRB2, GABRB1, GABRB3 | BUB1 2287/4885KDM4E 835/4885MEN1 4589/4885 |
| US-20010029299-A1 | Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands | GABRB1, GABRB3, GABRB2 | BUB1 2479/4885KDM4E 1753/4885MEN1 4736/4885 |
| US-20030153754-A1 | Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands | GABRB1, GABRB3, GABRB2 | BUB1 2437/4885KDM4E 1895/4885MEN1 4750/4885 |
“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.