SCHEMBL3583053

SCHEMBL3583053

Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 16/20 1.00
ALDH1A1 P00352 1/20 0.80
TSHR P16473 1/20 0.80
L3MBTL1 Q9Y468 1/20 0.68
KDM4E B2RXH2 3/20 0.67
SLC6A3 Q01959 1/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL3579159 0.87 SLC6A7 (0.77) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3583123 0.86 SLC6A7 (1.00) SLC6A7ALDH1A1TSHRL3MBTL1SLC6A3
SCHEMBL3585264 0.86 SLC6A7 (1.00) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3579156 0.86 SLC6A7 (0.75) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3576489 0.85 SLC6A7 (1.00) SLC6A7ALDH1A1TSHRL3MBTL1SLC6A3
SCHEMBL3580034 0.85 KDM4E (0.92) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3590036 0.85 SLC6A7 (1.00) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3581444 0.84 SLC6A7 (0.72) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3583125 0.84 SLC6A7 (1.00) SLC6A7ALDH1A1TSHRL3MBTL1SLC6A3
SCHEMBL3586942 0.84 SLC6A7 (0.73) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E

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-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 SLC6A7 1113/4885ALDH1A1 1258/4885TSHR 4163/4885
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 SLC6A7 1024/4885ALDH1A1 2105/4885TSHR 4433/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885ALDH1A1 2253/4885TSHR 2746/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885ALDH1A1 2944/4885TSHR 4853/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885ALDH1A1 1258/4885TSHR 4163/4885

“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.