⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19614449 | 1.00 | — | — | |
| SCHEMBL19614469 | 1.00 | — | — | |
| SCHEMBL28526992 | 0.88 | HCRTR1 (0.43) | — | |
| SCHEMBL28555602 | 0.86 | — | — | |
| SCHEMBL19614478 | 0.85 | TACR1 (0.45) | — | |
| SCHEMBL703326 | 0.85 | TACR1 (0.45) | — | |
| SCHEMBL19614476 | 0.85 | TACR1 (0.45) | — | |
| SCHEMBL28907061 | 0.82 | GRM5 (0.44) | — | |
| SCHEMBL443388 | 0.81 | — | — | |
| SCHEMBL443387 | 0.81 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458458-B1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC (US) | 2020-11-04 | — | — | EP | disclosed |
| EP-3458458-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | Aptinyx Inc. (US) | 2019-03-27 | — | — | EP | disclosed |
| CN-109415372-A | Spiral shell-lactams nmda receptor regulator and application thereof | 阿普廷伊克斯股份有限公司 | 2019-03-01 | — | — | CN | disclosed |
| US-10196401-B2 | Spiro-lactam NMDA receptor modulators and uses thereof | APTINYX INC. (US) | 2019-02-05 | — | — | US | disclosed |
| US-10195179-B2 | Spiro-lactam NMDA receptor modulators and uses thereof | APTINYX INC. (US) | 2019-02-05 | — | — | US | disclosed |
| CN-105408336-B | Spiro-lactam NMDA receptor modulators and uses thereof | 阿普廷伊克斯股份有限公司 | 2018-06-26 | — | — | CN | disclosed |
| US-20180093994-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) | 2018-04-05 | — | — | US | disclosed |
| US-20180092879-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) | 2018-04-05 | — | — | US | disclosed |
| US-9932347-B2 | Spiro-lactam NMDA receptor modulators and uses thereof | APTINYX INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-9925169-B2 | Spiro-lactam NMDA receptor modulators and uses thereof | APTINYX INC. (US) | 2018-03-27 | — | — | US | disclosed |
| CN-105229011-B | Spirolactams nmda receptor conditioning agent and application thereof | 阿普廷伊克斯股份有限公司 | 2018-02-06 | — | — | CN | disclosed |
| US-20170334922-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) | 2017-11-23 | — | — | US | disclosed |
| WO-2017201283-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2017-11-23 | — | — | WO | disclosed |
| US-20170333395-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) | 2017-11-23 | — | — | US | disclosed |
| WO-2017201285-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2017-11-23 | — | — | WO | disclosed |