⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1547787 | 0.81 | — | — | |
| SCHEMBL2920199 | 0.77 | — | — | |
| SCHEMBL1547695 | 0.76 | SHBG (0.38) | — | |
| SCHEMBL7128100 | 0.75 | GABRA1 (0.35) | — | |
| SCHEMBL4859155 | 0.74 | SHBG (0.36) | — | |
| SCHEMBL2921245 | 0.74 | — | — | |
| SCHEMBL2915644 | 0.74 | — | — | |
| SCHEMBL9820814 | 0.72 | — | — | |
| SCHEMBL10964 | 0.72 | — | — | |
| SCHEMBL30153374 | 0.72 | — | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1831173-B1 | TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS | JANSSEN PHARMACEUTICA NV (BE) | 2011-01-26 | — | — | EP | claimed |
| US-7767666-B2 | Butyl and butynyl benzyl amine compounds | JANSSEN PHARMACEUTICA NV (BE) | 2010-08-03 | — | — | US | claimed |
| EP-2049473-A2 | SUBSTITUTED BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-22 | — | — | EP | claimed |
| EP-2049466-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-04-22 | — | — | EP | claimed |
| US-20080045509-A1 | SUBSTITUTED BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-02-21 | — | — | US | claimed |
| US-20080004258-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-03 | — | — | US | claimed |
| WO-2008002820-A2 | SUBSTITUTED BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-03 | — | — | WO | claimed |
| WO-2008002817-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-03 | — | — | WO | claimed |
| EP-1831173-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-09-12 | — | — | EP | claimed |
| US-20060194837-A1 | Tetrahydroisoquinoline compounds | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-08-31 | — | — | US | claimed |
| WO-2006066197-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-06-22 | — | — | WO | claimed |
| EP-1831173-B1 | TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS | JANSSEN PHARMACEUTICA NV (BE) | 2011-01-26 | — | — | EP | disclosed |
| US-20100256122-A1 | BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-07 | — | — | US | disclosed |
| US-7767666-B2 | Butyl and butynyl benzyl amine compounds | JANSSEN PHARMACEUTICA NV (BE) | 2010-08-03 | — | — | US | disclosed |
| US-20090137562-A1 | SUBSTITUTED BENZYL AMINE COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2009-05-28 | — | — | US | disclosed |
| US-5268477-A | Containing a pyrrolidine or pyridine ring structure | THE UPJOHN COMPANY (US) | 1993-12-07 | — | — | US | disclosed |
| US-5175281-A | Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders | THE UPJOHN COMPANY (US) | 1992-12-29 | — | — | US | disclosed |
| US-5099019-A | Central nervous system steroid derivative drugs | UPJOHN COMPANY (US) | 1992-03-24 | — | — | US | disclosed |
| WO-1987007895-A1 | ANDROSTANE-TYPE AND CORTICAL AMINOESTERS | THE UPJOHN COMPANY (US) | 1987-12-30 | — | — | WO | disclosed |
| US-3998827-A | HYPOTENSIVE AGENTS | THE UPJOHN COMPANY (US) | 1976-12-21 | — | — | US | disclosed |