⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29603146 | 0.86 | — | — | |
| SCHEMBL19645062 | 0.84 | — | — | |
| SCHEMBL14682355 | 0.82 | — | — | |
| SCHEMBL14685068 | 0.82 | OPRM1 (0.51) | — | |
| SCHEMBL8162245 | 0.80 | CYP2C19 (0.44) | — | |
| SCHEMBL8172630 | 0.80 | CYP2C19 (0.44) | — | |
| SCHEMBL15937157 | 0.80 | — | — | |
| SCHEMBL17352427 | 0.79 | OPRM1 (0.38) | — | |
| SCHEMBL17352429 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL14893517 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180179217-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) | 2018-06-28 | — | — | US | disclosed |
| US-9758525-B2 | Spiro-lactam NMDA receptor modulators and uses thereof | APTINYX INC. (US) | 2017-09-12 | — | — | US | disclosed |
| US-9758525-B2 | Spiro-lactam NMDA receptor modulators and uses thereof | APTINYX INC. (US) | 2017-09-12 | — | — | US | disclosed |
| CN-105229010-A | Spiral shell-lactan nmda receptor conditioning agent and uses thereof | APTINYX INC | 2016-01-06 | — | — | CN | disclosed |
| US-20150368253-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) | 2015-12-24 | — | — | US | disclosed |
| US-20150368253-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) | 2015-12-24 | — | — | US | disclosed |
| WO-2014120786-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | NAUREX, INC. (US) | 2014-08-07 | — | — | WO | disclosed |