SCHEMBL3580959

SCHEMBL3580959

O=C(c1ccc(-c2ccc(Cl)cc2)cc1)C1CCN(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.59
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A7 Q99884 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
AVPR1A P37288 2/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MALT1 Q9UDY8 1/20 0.52
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
STAT3 P40763 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL3586064 0.90 ALDH1A1 (0.55) MGLLALDH1A1MAPK1SLC6A7L3MBTL1
SCHEMBL3583699 0.86 KDM4E (0.65) MGLLALDH1A1SLC6A7L3MBTL1MEN1
SCHEMBL3586199 0.85 BCHE (0.56) MGLLALDH1A1MAPK1SLC6A7L3MBTL1
SCHEMBL3578352 0.84 KDM4E (0.54) MGLLALDH1A1MAPK1SLC6A7L3MBTL1
SCHEMBL3574681 0.80 SLC6A7 (0.55) MGLLALDH1A1MAPK1SLC6A7L3MBTL1
SCHEMBL3579131 0.80 SLC6A7 (0.83) ALDH1A1MAPK1SLC6A7L3MBTL1MEN1
SCHEMBL18255120 0.77 RIPK1 (0.55) ALDH1A1AVPR1AKMT2AMALT1KDM4E
SCHEMBL30722456 0.77 RIPK1 (0.55) ALDH1A1AVPR1AKMT2AMALT1KDM4E
SCHEMBL27722977 0.77 RIPK1 (0.61) ALDH1A1AVPR1AMALT1KDM4E
SCHEMBL6209267 0.77 MGLL (0.68) MGLLMEN1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP claimed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO claimed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US claimed
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
EP-1893212-B1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2013-10-16 EP disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT MGLL 1006/4885ALDH1A1 1258/4885MAPK1 4219/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 MGLL 1344/4885ALDH1A1 2105/4885MAPK1 1377/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A MGLL 629/4885ALDH1A1 2253/4885MAPK1 3129/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP MGLL 910/4885ALDH1A1 2944/4885MAPK1 2615/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT MGLL 1006/4885ALDH1A1 1258/4885MAPK1 4219/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.