SCHEMBL503928

SCHEMBL503928

CC1(C)CNCCC1=O

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
Hydrochloric Acid SCHEMBL3022081 0.98 HTR2A (0.39)
Trifluoroacetic Acid SCHEMBL29191938 0.83 HTR2A (0.32)
Tert-Butyl Formate SCHEMBL27805789 0.80 TDP1 (0.42)
SCHEMBL16924904 0.78 NEK2 (0.34)
SCHEMBL23593437 0.76
SCHEMBL18295500 0.70
SCHEMBL13144498 0.70
SCHEMBL23432232 0.70
SCHEMBL1876188 0.68 CRBN (0.32)
Hydrochloric Acid SCHEMBL20532139 0.68 CRBN (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2015765-A2 METHODS AMD COMPOSITIONS FOR TREATING CONDITIONS Neopro Labs, LLC (US) 2009-01-21 EP claimed
WO-2007112453-A2 METHODS AMD COMPOSITIONS FOR TREATING CONDITIONS NEOPRO LABS, LLC (US) 2007-10-04 WO claimed
US-20050065164-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2005-03-24 US claimed
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP claimed
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments WOCKHARDT LIMITED 2003-11-20 US claimed
CN-1125053-C Method of preparing norbenzomorphane as an intermediate in the preparation of pharmaceutically useful benzomorphane derivatives, in particular (-)-(1R, 5S, 2'R')-3'-hydroxy-2-(2-methoxypropyl)-5,..... BOEHRINGER INGELHEIM KG (DE) 2003-10-22 CN claimed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO claimed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 US disclosed
EP-3820867-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS Fondazione Istituto Italiano di Tecnologia (IT) 2021-05-19 EP disclosed
US-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2020-11-05 US disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
US-6140502-A Heat-based process for the re-racemisation of a (-)-2-phenylmethyl-3,3-dimethyl-piperidin-4-on derivative BOEHRINGER INGELHEIM KG (DE) 2000-10-31 US disclosed
US-6136980-A Method of preparing norbenzomorphane as an intermediate in the preparation of pharmaceutically useful benzomorphane derivatives, in particular (-)-(1R,5S,2\"R)-3'-hydroxy-2-(2-methoxypropyl)-5,9,9-trimethyl-6,7-benzo morphane BOEHRINGER INGELHEIM KG (DE) 2000-10-24 US disclosed
US-6054604-A Method of preparing norbenzomorphane as an intermediate BOEHRINGER INGELHEIM KG (DE) 2000-04-25 US disclosed
US-5945535-A Method of preparing norbenzomorphanes BOEHRINGER INGELHEIM KG (DE) 1999-08-31 US disclosed
EP-0842153-A1 METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2\"R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE BOEHRINGER INGELHEIM KG (DE) 1998-05-20 EP disclosed
WO-1997006146-A1 METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2'R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE BOEHRINGER INGELHEIM KG (DE) 1997-02-20 WO disclosed