⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18320616 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL25283521 | 0.84 | PTGDR2 (0.33) | — | |
| SCHEMBL16728654 | 0.83 | PLAU (0.34) | — | |
| SCHEMBL30046305 | 0.83 | ALOX5AP (0.31) | — | |
| SCHEMBL1661076 | 0.83 | ALOX5AP (0.31) | — | |
| SCHEMBL1957727 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL18320619 | 0.79 | PLA2G1B (0.33) | — | |
| SCHEMBL29728392 | 0.79 | SSTR4 (0.34) | — | |
| SCHEMBL8042808 | 0.77 | AGBL2 (0.42) | — | |
| SCHEMBL18650420 | 0.75 | — | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210008055-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2021-01-14 | — | — | US | disclosed |
| US-20190275024-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2019-09-12 | — | — | US | disclosed |
| US-10272077-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2019-04-30 | — | — | US | disclosed |
| US-20180092900-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-04-05 | — | — | US | disclosed |
| EP-2846798-B1 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-04-04 | — | — | EP | disclosed |
| US-9833448-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-12-05 | — | — | US | disclosed |
| EP-2846801-B1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2017-04-05 | — | — | EP | disclosed |
| US-20170027925-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-02-02 | — | — | US | disclosed |
| US-9499545-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-22 | — | — | US | disclosed |
| EP-2821407-B1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2016-09-21 | — | — | EP | disclosed |
| WO-2014128486-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LIMITED (GB) | 2014-08-28 | — | — | WO | disclosed |
| US-8754096-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-17 | — | — | US | disclosed |
| WO-2013169574-A2 | ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| WO-2013169563-A1 | PYRIDINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-11-14 | — | — | WO | disclosed |
| EP-2638042-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-09-18 | — | — | EP | disclosed |
| US-8481556-B2 | Piperidinone carboxamide azaindane CGRP receptor antagonists | Merck, Sharp & Dohms, Corp. (US) | 2013-07-09 | — | — | US | disclosed |
| WO-2012064910-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-18 | — | — | WO | disclosed |
| US-20120122900-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20120122911-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20120122899-A1 | PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |