SCHEMBL3580180

SCHEMBL3580180

Cc1cc(-c2ccc(F)cc2F)ccc1C(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
HSD17B10 Q99714 2/20 0.59
SLC6A7 Q99884 9/20 0.58
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 2/20 0.52
TSHR P16473 2/20 0.49
MAPK14 Q16539 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 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
SCHEMBL3585870 0.86 SLC6A7 (0.76) KDM4ESLC6A7ALDH1A1L3MBTL1PKM
SCHEMBL3579156 0.81 SLC6A7 (0.75) KDM4EHSD17B10SLC6A7ALDH1A1L3MBTL1
SCHEMBL3581444 0.80 SLC6A7 (0.72) KDM4EHSD17B10SLC6A7ALDH1A1L3MBTL1
SCHEMBL3580304 0.78 SLC6A7 (0.70) KDM4EHSD17B10SLC6A7ALDH1A1L3MBTL1
SCHEMBL3821678 0.77 ALDH1A1 (0.65) KDM4EHSD17B10SLC6A7ALDH1A1L3MBTL1
SCHEMBL3579391 0.77 L3MBTL1 (0.65) KDM4EHSD17B10SLC6A7ALDH1A1L3MBTL1
SCHEMBL4695977 0.75 SLC6A7 (0.62) KDM4ESLC6A7ALDH1A1L3MBTL1TSHR
SCHEMBL4731711 0.75 ALDH1A1 (0.47) KDM4ESLC6A7ALDH1A1PKMTSHR
SCHEMBL3585264 0.75 SLC6A7 (1.00) KDM4ESLC6A7ALDH1A1L3MBTL1TSHR
SCHEMBL3583409 0.74 SLC6A7 (0.72) KDM4ESLC6A7ALDH1A1L3MBTL1TSHR

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-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-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE 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 KDM4E 3142/4885HSD17B10 292/4885SLC6A7 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 KDM4E 2349/4885HSD17B10 1124/4885SLC6A7 1024/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KDM4E 1625/4885HSD17B10 2306/4885SLC6A7 746/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KDM4E 1641/4885HSD17B10 832/4885SLC6A7 2686/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT KDM4E 3142/4885HSD17B10 292/4885SLC6A7 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.