⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL6208214 | 0.76 | GSK3A (0.30) | — | |
| SCHEMBL7494609 | 0.72 | — | — | |
| SCHEMBL7498770 | 0.64 | — | — | |
| SCHEMBL5864696 | 0.60 | GSK3A (0.35) | — | |
| SCHEMBL17232333 | 0.52 | — | — | |
| SCHEMBL3313260 | 0.51 | — | — | |
| SCHEMBL426651 | 0.50 | — | — | |
| SCHEMBL7959486 | 0.41 | NPC1 (0.52) | — | |
| SCHEMBL9720424 | 0.41 | MGLL (0.41) | — | |
| SCHEMBL30940297 | 0.41 | ACHE (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307463-B1 | PYRROLO 2,1-B]-[1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY | SIGMA TAU IND FARMACEUTI (IT) | 2005-01-26 | — | — | EP | disclosed |
| US-6710041-B2 | Pyrrolo[2,1-B][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2004-03-23 | — | — | US | disclosed |
| US-20030186959-A1 | Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2003-10-02 | — | — | US | disclosed |
| EP-1307463-A1 | PYRROLO 2,1-B]-[1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2003-05-07 | — | — | EP | disclosed |
| EP-1100803-B1 | PYRROLO [2,1-B] [1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA TAU IND FARMACEUTI (IT) | 2002-10-02 | — | — | EP | disclosed |
| US-6391870-B2 | DOPAMINERGIC AGENT | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-05-21 | — | — | US | disclosed |
| WO-2002010175-A1 | PYRROLO[2,1-b][1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-02-07 | — | — | WO | disclosed |
| US-20020006921-A1 | Pyrrolo {2,1-b}{1,3}benzothiazepines with atypical antipsychotic activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-01-17 | — | — | US | disclosed |
| EP-1100803-A2 | PYRROLO 2,1-B] 1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006579-A2 | PYRROLO[2,1-B][1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2000-02-10 | — | — | WO | disclosed |