SCHEMBL3586064

SCHEMBL3586064

O=C(c1ccc(-c2cccc(Cl)c2)cc1)C1CCN(c2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SLC6A7 Q99884 10/20 0.53
SLC6A3 Q01959 2/20 0.53
MALT1 Q9UDY8 1/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AVPR1A P37288 2/20 0.52
MGLL Q99685 3/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KMT2A Q03164 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
SCHEMBL3580959 0.90 MGLL (0.59) ALDH1A1SLC6A7MALT1MAPK1L3MBTL1
SCHEMBL1135093 0.88 SLC6A7 (0.68) SLC6A7SLC6A3MALT1MGLL
SCHEMBL30674402 0.88 SLC6A7 (0.68) SLC6A7SLC6A3MALT1MGLL
SCHEMBL15310283 0.85 CNR2 (0.50) SLC6A7SLC6A3MGLLPDE4APDE4B
SCHEMBL3574681 0.84 SLC6A7 (0.55) ALDH1A1SLC6A7MALT1MAPK1L3MBTL1
SCHEMBL3576158 0.83 SLC6A7 (0.64) SLC6A7SLC6A3PDE4APDE4BPDE4C
SCHEMBL3578857 0.82 SLC6A7 (0.78) ALDH1A1SLC6A7SLC6A3MAPK1L3MBTL1
SCHEMBL3813104 0.81 SLC6A7 (0.56) SLC6A7SLC6A3MGLLPDE4APDE4B
SCHEMBL3576482 0.80 SLC6A7 (0.55) SLC6A7SLC6A3MGLL
SCHEMBL3586199 0.80 BCHE (0.56) ALDH1A1SLC6A7MAPK1L3MBTL1AVPR1A

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 15 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
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use 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 ALDH1A1 1258/4885SLC6A7 1113/4885SLC6A3 134/4885
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 ALDH1A1 2105/4885SLC6A7 1024/4885SLC6A3 79/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ALDH1A1 2253/4885SLC6A7 746/4885SLC6A3 14/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ALDH1A1 2944/4885SLC6A7 2686/4885SLC6A3 406/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT ALDH1A1 1258/4885SLC6A7 1113/4885SLC6A3 134/4885

“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.