SCHEMBL3590893

SCHEMBL3590893

O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
KDM4E B2RXH2 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
SLC6A7 Q99884 6/20 0.63
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTR2B P41595 1/20 0.60
TSHR P16473 2/20 0.59
MGLL Q99685 2/20 0.58
GBA1 P04062 1/20 0.56
HPGD P15428 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
FASN P49327 1/20 0.55

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
SCHEMBL5239212 0.82 KDM4E (0.68) ALDH1A1KDM4ESMN1; SMN2MAPK1TSHR
SCHEMBL29931500 0.82 KDM4E (0.68) ALDH1A1KDM4ESMN1; SMN2MAPK1TSHR
SCHEMBL27722985 0.81 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2MAPK1TSHR
SCHEMBL10721898 0.78 MAPK1 (0.85) ALDH1A1SMN1; SMN2SLC6A7MAPK1L3MBTL1
SCHEMBL8154101 0.77 SLC6A7 (1.00) ALDH1A1KDM4ESLC6A7MAPK1L3MBTL1
SCHEMBL3578390 0.77 SLC6A7 (0.67) ALDH1A1KDM4ESLC6A7MAPK1L3MBTL1
SCHEMBL8161635 0.76 SLC6A7 (1.00) ALDH1A1SLC6A7MAPK1L3MBTL1POLB
SCHEMBL3575181 0.76 SLC6A7 (0.69) ALDH1A1KDM4ESLC6A7MAPK1L3MBTL1
SCHEMBL20274109 0.76 KDM4E (0.66) ALDH1A1KDM4ESMN1; SMN2MAPK1HPGD
SCHEMBL11081503 0.75 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2MAPK1GBA1

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 15 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-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 ALDH1A1 1258/4885KDM4E 3142/4885SMN1; SMN2 878/4885
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 ALDH1A1 2105/4885KDM4E 2349/4885SMN1; SMN2 614/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ALDH1A1 2253/4885KDM4E 1625/4885SMN1; SMN2 1292/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ALDH1A1 2944/4885KDM4E 1641/4885SMN1; SMN2 31/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT ALDH1A1 1258/4885KDM4E 3142/4885SMN1; SMN2 878/4885

“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.