SCHEMBL3579256

SCHEMBL3579256

O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.67
ROCK1 Q13464 1/20 0.67
SLC6A7 Q99884 4/20 0.65
ALDH1A1 P00352 4/20 0.65
TSHR P16473 2/20 0.65
MAPT P10636 2/20 0.60
KDM4E B2RXH2 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
HRH3 Q9Y5N1 2/20 0.57
HTR7 P34969 1/20 0.56
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GFER P55789 1/20 0.54
ATM Q13315 1/20 0.54
HTT P42858 1/20 0.54
GRM5 P41594 1/20 0.54
ME2 P23368 1/20 0.53
ME1 P48163 1/20 0.53

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
SCHEMBL13149259 0.92 KDM4E (0.66) ROCK2ROCK1SLC6A7ALDH1A1KDM4E
SCHEMBL13149297 0.85 POLB (0.68) ROCK2ROCK1SLC6A7ALDH1A1TSHR
SCHEMBL4375739 0.83 MAPT (0.64) SLC6A7ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL17311496 0.81 ROCK1 (1.00) ROCK2ROCK1
SCHEMBL23682791 0.78 KDM4E (0.81) ALDH1A1TSHRKDM4ESMN1; SMN2HTR7
SCHEMBL13149796 0.78 ALDH1A1 (0.76) SLC6A7ALDH1A1TSHRMAPTKDM4E
SCHEMBL13149240 0.76 KDM4E (0.78) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL211060 0.76 HDAC1 (0.57) ROCK2ROCK1KDM4EHTT
SCHEMBL3585542 0.76 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EHTR7
SCHEMBL19380613 0.76 MAPT (1.00) TSHRMAPTKDM4ESMN1; SMN2HRH3

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 ROCK2 1956/4885ROCK1 2467/4885SLC6A7 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 ROCK2 376/4885ROCK1 267/4885SLC6A7 1024/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ROCK2 459/4885ROCK1 558/4885SLC6A7 746/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ROCK2 601/4885ROCK1 336/4885SLC6A7 2686/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT ROCK2 1956/4885ROCK1 2467/4885SLC6A7 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.