SCHEMBL3580034

SCHEMBL3580034

Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.92
ALDH1A1 P00352 5/20 0.83
SLC6A7 Q99884 4/20 0.83
MAPK1 P28482 1/20 0.83
L3MBTL1 Q9Y468 1/20 0.83
HPGD P15428 1/20 0.70
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HTT P42858 1/20 0.69
TSHR P16473 2/20 0.66
HSD17B10 Q99714 1/20 0.66
SETD7 Q8WTS6 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
NAMPT P43490 1/20 0.61

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
SCHEMBL12082726 0.96 KDM4E (1.00) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL8154101 0.91 SLC6A7 (1.00) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL3579131 0.87 SLC6A7 (0.83) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL3583053 0.85 SLC6A7 (1.00) KDM4EALDH1A1SLC6A7L3MBTL1SMN1; SMN2
SCHEMBL3582024 0.84 SLC6A7 (0.77) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL3582926 0.84 SLC6A7 (0.77) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL34468359 0.84 ALDH1A1 (0.78) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL3575181 0.84 SLC6A7 (0.69) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL95027 0.83 ALDH1A1 (0.76) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1
SCHEMBL3578857 0.82 SLC6A7 (0.78) KDM4EALDH1A1SLC6A7MAPK1L3MBTL1

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 KDM4E 3142/4885ALDH1A1 1258/4885SLC6A7 1113/4885
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 KDM4E 2349/4885ALDH1A1 2105/4885SLC6A7 1024/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KDM4E 1625/4885ALDH1A1 2253/4885SLC6A7 746/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KDM4E 1641/4885ALDH1A1 2944/4885SLC6A7 2686/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT KDM4E 3142/4885ALDH1A1 1258/4885SLC6A7 1113/4885

“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.