SCHEMBL93984

SCHEMBL93984

COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1OCCN

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29383168 1.00
SCHEMBL29454692 1.00
SCHEMBL6081094 0.92
SCHEMBL6377549 0.92
SCHEMBL6377749 0.89
SCHEMBL6376345 0.88 TRPV1 (0.61)
SCHEMBL947521 0.88
SCHEMBL6301875 0.88
SCHEMBL6301871 0.87
SCHEMBL6304951 0.86

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 210 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 US claimed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 US claimed
EP-3363437-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS SOLUTIONS (US) 2021-07-28 EP claimed
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-24 US claimed
CN-107540599-B Aminoindane compounds and their use to treat pain 阿萨纳生物科技有限责任公司 2021-06-04 CN claimed
EP-3363437-A1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN Endo Pharmaceuticals Solutions Inc. (US) 2018-08-22 EP claimed
EP-2675787-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS INC (US) 2018-03-28 EP claimed
US-9375423-B2 Use of aminoindane compounds in treating overactive bladder and interstitial cystitis ASANA BIOSCIENCES, LLC (US) 2016-06-28 US claimed
EP-2771320-B1 CYCLOHEXYLAMINES ENDO PHARMACEUTICALS INC (US) 2016-06-22 EP claimed
EP-2995303-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2016-03-16 EP claimed
EP-2271329-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS President and Fellows of Harvard College (US) 2011-01-12 EP claimed
US-20100311678-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER AND MODULATING SIGNAL TRANSDUCTION AND METABOLISM PATHWAYS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-12-09 US claimed
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US claimed
EP-2101819-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-23 EP claimed
WO-2009114139-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-17 WO claimed
WO-2009045504-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER AND MODULATING SIGNAL TRANSDUCTION AND METABOLISM PATHWAYS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-09 WO claimed
WO-2008063603-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-05-29 WO claimed
US-6476076-B1 Vanilloid analogues containing resinferatoxin pharmacophores as potent vanilloid receptor agonists and analgesics, compositions and uses thereof PACIFIC CORPORATION (KR) 2002-11-05 US claimed
EP-1154989-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2001-11-21 EP claimed
WO-2000050387-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2000-08-31 WO claimed