SCHEMBL3585542

SCHEMBL3585542

c1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
TSHR P16473 1/20 1.00
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
KDM4E B2RXH2 1/20 0.70
DRD2 P14416 7/20 0.65
DRD4 P21917 7/20 0.65
DRD3 P35462 6/20 0.65
HTR1A P08908 1/20 0.59
HTR3A P46098 1/20 0.59
HTR7 P34969 1/20 0.59

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
SCHEMBL8357217 0.90 ALDH1A1 (0.82) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL1876523 0.90 MEN1 (0.87) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL8872544 0.88 ALDH1A1 (0.78) ALDH1A1TSHRMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7972283 0.87 ALDH1A1 (0.76) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13219071 0.85 ALDH1A1 (0.74) ALDH1A1TSHRKMT2AKDM4EDRD2
SCHEMBL7501326 0.83 DRD2 (0.76) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL5986969 0.83 MEN1 (0.74) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL16226080 0.81 SIGMAR1 (0.78) ALDH1A1TSHRKMT2ADRD4
SCHEMBL7508092 0.80 ALDH1A1 (0.67) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL12861757 0.80 DRD4 (0.79) ALDH1A1TSHRKDM4EDRD2DRD4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN claimed
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
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN 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 1258/4885TSHR 4163/4885MEN1 1568/4885
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 2105/4885TSHR 4433/4885MEN1 2823/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ALDH1A1 2253/4885TSHR 2746/4885MEN1 4522/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ALDH1A1 2944/4885TSHR 4853/4885MEN1 1620/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT ALDH1A1 1258/4885TSHR 4163/4885MEN1 1568/4885

“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.