SCHEMBL3578352

SCHEMBL3578352

O=C(c1ccc(Br)cc1)C1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
SLC18A3 Q16572 2/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
RIPK1 Q13546 1/20 0.49
MGLL Q99685 1/20 0.49
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
IGF1R P08069 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A7 Q99884 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3574068 0.85 KDM4E (0.59) KDM4ESLC18A3MGLLHSD11B1ALDH1A1
SCHEMBL3580959 0.84 MGLL (0.59) KDM4EBCHEACHEBACE1MGLL
SCHEMBL3586199 0.81 BCHE (0.56) KDM4EBCHEACHEBACE1MGLL
SCHEMBL3591130 0.80 KDM4E (0.52) KDM4ESLC18A3MGLLHSD11B1ALDH1A1
SCHEMBL27722977 0.80 RIPK1 (0.61) KDM4ERIPK1ALDH1A1
SCHEMBL3586064 0.79 ALDH1A1 (0.55) MGLLALDH1A1KMT2AMAPK1SLC6A7
SCHEMBL2274636 0.79 KDM4E (0.66) KDM4ERIPK1ALDH1A1MAPK1SLC6A7
SCHEMBL30722456 0.77 RIPK1 (0.55) KDM4ERIPK1ALDH1A1KMT2A
SCHEMBL18255120 0.77 RIPK1 (0.55) KDM4ERIPK1ALDH1A1KMT2A
SCHEMBL30722454 0.77 KDM4E (0.57) KDM4ERIPK1ALDH1A1MEN1KMT2A

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
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-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 KDM4E 3142/4885SLC18A3 36/4885BCHE 13/4885
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 2349/4885SLC18A3 21/4885BCHE 9/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KDM4E 1625/4885SLC18A3 43/4885BCHE 54/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KDM4E 1641/4885SLC18A3 162/4885BCHE 14/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT KDM4E 3142/4885SLC18A3 36/4885BCHE 13/4885

“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.