SCHEMBL3579880

SCHEMBL3579880

CC1CN(c2ccccn2)CC(C)N1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.67
SLC6A7 Q99884 7/20 0.63
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.48
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GRM1 Q13255 2/20 0.44
SMO Q99835 1/20 0.44
HCRTR2 O43614 1/20 0.43

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
SCHEMBL3581890 0.89 HSD11B1 (0.62) HSD11B1SLC6A7ALDH1A1MAPK1L3MBTL1
SCHEMBL15310296 0.85 SLC6A7 (0.78) HSD11B1SLC6A7ALDH1A1MAPK1L3MBTL1
SCHEMBL3579865 0.85 HSD11B1 (0.58) HSD11B1SLC6A7ALDH1A1MAPK1L3MBTL1
SCHEMBL3587312 0.79 SLC6A7 (0.77) HSD11B1SLC6A7ALDH1A1MAPK1L3MBTL1
SCHEMBL28768957 0.78 HSD11B1 (0.62) HSD11B1ALDH1A1KDM4EGRM1
SCHEMBL3579131 0.78 SLC6A7 (0.83) SLC6A7ALDH1A1MAPK1L3MBTL1SLC6A3
SCHEMBL3579397 0.77 SLC6A7 (0.65) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3589975 0.74 SLC6A7 (1.00) SLC6A7ALDH1A1SLC6A3GRM1SMO
SCHEMBL3589980 0.74 SLC6A7 (1.00) SLC6A7ALDH1A1SLC6A3GRM1SMO
SCHEMBL3580959 0.74 MGLL (0.59) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E

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 14 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
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 HSD11B1 122/4885SLC6A7 1113/4885ALDH1A1 1258/4885
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 HSD11B1 223/4885SLC6A7 1024/4885ALDH1A1 2105/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A HSD11B1 634/4885SLC6A7 746/4885ALDH1A1 2253/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP HSD11B1 237/4885SLC6A7 2686/4885ALDH1A1 2944/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT HSD11B1 122/4885SLC6A7 1113/4885ALDH1A1 1258/4885

“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.