SCHEMBL605827

SCHEMBL605827

[CH2]NC(=O)CC(C)C

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
SCHEMBL5691924 0.77 ALDH1A1 (0.50)
SCHEMBL28976461 0.75
SCHEMBL97236 0.74
SCHEMBL3355493 0.74
SCHEMBL8695412 0.74
SCHEMBL20695607 0.74
SCHEMBL28974196 0.74
SCHEMBL28974170 0.74
SCHEMBL28974164 0.74
SCHEMBL18908668 0.72 SMN1; SMN2 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290632-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
EP-3057958-B1 AMINOTETRALINE AND AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-05-01 EP disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
EP-2814810-B1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2018-12-19 EP disclosed
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
US-9586942-B2 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 EP disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 WO disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 WO disclosed
EP-0854867-B1 TETRAHYDROQUINOLINES AS NMDA ANTAGONISTS GLAXO WELLCOME SPA (IT) 2002-07-31 EP disclosed
US-5977136-A Tetrahydroquinolines as NMDA antagonists GLAXO WELLCOME SPA (IT) 1999-11-02 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0854867-A1 TETRAHYDROQUINOLINES AS NMDA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1998-07-29 EP disclosed
WO-1997012870-A1 TETRAHYDROQUINOLINES AS NMDA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1997-04-10 WO disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed