⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2066577 | 0.78 | — | — | |
| SCHEMBL8061533 | 0.76 | LIMK1 (0.37) | — | |
| SCHEMBL10552822 | 0.76 | HTR1A (0.31) | — | |
| SCHEMBL10555530 | 0.76 | — | — | |
| SCHEMBL6172650 | 0.74 | — | — | |
| SCHEMBL2067273 | 0.74 | — | — | |
| SCHEMBL15822156 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL558368 | 0.70 | — | — | |
| SCHEMBL2067259 | 0.69 | AOC1 (0.39) | — | |
| SCHEMBL5480715 | 0.69 | GAA (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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | claimed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | claimed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | claimed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | claimed |
| EP-2334683-B1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | MSD ITALIA SRL (IT) | 2017-03-22 | — | — | EP | disclosed |
| US-8470823-B2 | Saturated bicyclic heterocyclic derivatives as SMO antagonists | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) | 2013-06-25 | — | — | US | disclosed |
| US-20110183989-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Instituto di Ricerche di Biologia Molecolare P. Ang | 2011-07-28 | — | — | US | disclosed |
| EP-2334683-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010023480-A1 | SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-03-04 | — | — | WO | disclosed |
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-20050101653-A1 | Combination therapy for the treatment of migraine | SANDS GEORGE H (US) | 2005-05-12 | — | — | US | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| US-6476042-B1 | Combination therapy for the treatment of migraine | PFIZER INC. | 2002-11-05 | — | — | US | disclosed |
| CN-1284064-A | 2,3-substituted indole compounds as cox-2 inhibitors | PFIZER PHARMA (US) | 2001-02-14 | — | — | CN | disclosed |
| EP-1064966-A2 | Combination of an 5HT1 receptor antagonist, caffeine and a cyclooxygenase-2 inhibitor for the treatment of migraine | Pfizer Products Inc. (US) | 2001-01-03 | — | — | EP | disclosed |
| EP-1051995-A2 | 5HT1 receptor agonists and a cox-2 inhibitor or NSAID for the treatment of migraine | Pfizer Products Inc. (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |