SCHEMBL3589453

SCHEMBL3589453

Cc1ccc(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cn2)s1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 14/20 0.75
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL3582095 0.84 SLC6A7 (0.75) SLC6A7NPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL3579159 0.82 SLC6A7 (0.77) SLC6A7L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL3583707 0.78 SLC6A7 (0.77) SLC6A7L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL3585577 0.77 SLC6A7 (0.58) SLC6A7KDM4EALDH1A1TSHRLMNA
SCHEMBL3578650 0.76 SLC6A7 (0.67) SLC6A7L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL3583147 0.75 SLC6A7 (0.76) SLC6A7L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL3583535 0.75 SLC6A7 (0.79) SLC6A7L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL3579391 0.74 L3MBTL1 (0.65) SLC6A7L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL3583053 0.74 SLC6A7 (1.00) SLC6A7L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL13149233 0.73 KDM4E (0.71) SLC6A7L3MBTL1KDM4EALDH1A1TSHR

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
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-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 1113/4885NPSR1 226/4885L3MBTL1 4298/4885
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 1024/4885NPSR1 744/4885L3MBTL1 3099/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885NPSR1 168/4885L3MBTL1 2622/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885NPSR1 2078/4885L3MBTL1 2561/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885NPSR1 226/4885L3MBTL1 4298/4885

“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.