SCHEMBL3579156

SCHEMBL3579156

Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)c(C)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 13/20 0.75
KDM4E B2RXH2 3/20 0.62
TSHR P16473 2/20 0.62
NPC1 O15118 1/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
RAB9A P51151 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 2/20 0.60
SLC6A3 Q01959 1/20 0.58
PKM P14618 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL3580304 0.89 SLC6A7 (0.70) SLC6A7KDM4ETSHRNPC1TP53
SCHEMBL3583053 0.86 SLC6A7 (1.00) SLC6A7KDM4ETSHRALDH1A1SLC6A3
SCHEMBL3580180 0.81 KDM4E (0.71) SLC6A7KDM4ETSHRNPC1TP53
SCHEMBL3576031 0.79 SLC6A7 (0.73) SLC6A7KDM4ETSHRNPC1TP53
SCHEMBL4754060 0.78 SLC6A7 (0.67) SLC6A7KDM4ETSHRNPC1TP53
SCHEMBL3544606 0.78 SLC6A7 (0.63) SLC6A7KDM4ETSHRNPC1TP53
SCHEMBL3579159 0.77 SLC6A7 (0.77) SLC6A7KDM4ETSHRNPC1TP53
SCHEMBL3581444 0.77 SLC6A7 (0.72) SLC6A7KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL3817716 0.75 SLC6A7 (0.63) SLC6A7KDM4ETSHRALDH1A1SLC6A3
SCHEMBL3823144 0.75 SLC6A7 (0.76) SLC6A7KDM4ETSHRALDH1A1SLC6A3

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 12 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
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 1113/4885KDM4E 3142/4885TSHR 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 1024/4885KDM4E 2349/4885TSHR 4433/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885KDM4E 1625/4885TSHR 2746/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885KDM4E 1641/4885TSHR 4853/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885KDM4E 3142/4885TSHR 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.