SCHEMBL3577425

SCHEMBL3577425

CC1CN(c2ncccn2)CCC1C(=O)c1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A7 Q99884 4/20 0.43
SLC6A9 P48067 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MC4R P32245 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL3585870 0.75 SLC6A7 (0.76) KDM4ESLC6A7ALDH1A1L3MBTL1PKM
SCHEMBL3577929 0.73 SLC6A7 (0.41) KDM4EMEN1KMT2ANPSR1SLC6A7
SCHEMBL14160624 0.70 TDP1 (0.41) MAPK1KDM4EMEN1KMT2ANPSR1
SCHEMBL4731167 0.70 KDM4E (0.46) MAPK1KDM4EMEN1KMT2ASLC6A7
SCHEMBL3580180 0.69 KDM4E (0.71) KDM4ESLC6A7ALDH1A1L3MBTL1PKM
SCHEMBL6212106 0.69 L3MBTL1 (0.62) KDM4EMEN1KMT2ANPSR1SLC6A7
SCHEMBL3589995 0.69 KDM4E (0.48) KDM4EMEN1KMT2ANPSR1SLC6A7
SCHEMBL3811322 0.67 DPP4 (0.48) KDM4ESLC6A7SLC6A9ALDH1A1PKM
SCHEMBL3811321 0.67 DPP4 (0.48) KDM4ESLC6A7SLC6A9ALDH1A1PKM
SCHEMBL3817763 0.67 DPP4 (0.48) KDM4ESLC6A7SLC6A9ALDH1A1PKM

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 11 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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 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 MAPK1 4219/4885KDM4E 3142/4885MEN1 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 MAPK1 1377/4885KDM4E 2349/4885MEN1 2823/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A MAPK1 3129/4885KDM4E 1625/4885MEN1 4522/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP MAPK1 2615/4885KDM4E 1641/4885MEN1 1620/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT MAPK1 4219/4885KDM4E 3142/4885MEN1 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.