SCHEMBL3578419

SCHEMBL3578419

O=C(c1ccc(-c2cccc(C(F)(F)F)c2)cc1F)N1CCN(c2ncccn2)CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 11/20 0.77
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC6A3 Q01959 1/20 0.53
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.50
APP P05067 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
SCHEMBL5823601 0.90 SLC6A7 (0.62) SLC6A7KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL3578242 0.87 SLC6A7 (1.00) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL5823604 0.84 KDM4E (0.60) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3575523 0.83 SLC6A7 (0.92) SLC6A7ALDH1A1L3MBTL1SLC6A3TSHR
SCHEMBL3580304 0.82 SLC6A7 (0.70) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3817716 0.80 SLC6A7 (0.63) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3578246 0.79 SLC6A7 (0.77) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL3585866 0.77 SLC6A7 (0.76) SLC6A7KDM4EALDH1A1L3MBTL1SLC6A3
SCHEMBL911143 0.77 MGLL (0.51) SLC6A7
SCHEMBL4695977 0.77 SLC6A7 (0.62) SLC6A7KDM4EALDH1A1L3MBTL1MEN1

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 10 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
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 1113/4885KDM4E 3142/4885ALDH1A1 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 SLC6A7 1024/4885KDM4E 2349/4885ALDH1A1 2105/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885KDM4E 1625/4885ALDH1A1 2253/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885KDM4E 1641/4885ALDH1A1 2944/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885KDM4E 3142/4885ALDH1A1 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.