SCHEMBL3579397

SCHEMBL3579397

CC1CN(c2ccccn2)CCN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 5/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPK1 P28482 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
GRM1 Q13255 5/20 0.60
SMO Q99835 8/20 0.57
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.51
CHRM4 P08173 1/20 0.50

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
SCHEMBL15310296 0.92 SLC6A7 (0.78) SLC6A7ALDH1A1MAPK1L3MBTL1GRM1
SCHEMBL3578676 0.88 SLC6A7 (0.83) SLC6A7ALDH1A1GRM1SMOTSHR
SCHEMBL12100509 0.84 GRM1 (0.70) SLC6A7ALDH1A1MAPK1L3MBTL1GRM1
SCHEMBL27702484 0.82 GRM1 (0.71) ALDH1A1GRM1SMOKDM4ETSHR
SCHEMBL3589980 0.79 SLC6A7 (1.00) SLC6A7ALDH1A1GRM1SMOTSHR
SCHEMBL3589975 0.79 SLC6A7 (1.00) SLC6A7ALDH1A1GRM1SMOTSHR
SCHEMBL8154101 0.79 SLC6A7 (1.00) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3581890 0.78 HSD11B1 (0.62) SLC6A7ALDH1A1MAPK1L3MBTL1GRM1
SCHEMBL15703668 0.77 ALDH1A1 (0.76) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3579880 0.77 HSD11B1 (0.67) SLC6A7ALDH1A1MAPK1L3MBTL1GRM1

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
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 SLC6A7 1113/4885ALDH1A1 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 SLC6A7 1024/4885ALDH1A1 2105/4885MAPK1 1377/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885ALDH1A1 2253/4885MAPK1 3129/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885ALDH1A1 2944/4885MAPK1 2615/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885ALDH1A1 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.