SCHEMBL3580160

SCHEMBL3580160

O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)nc1)N1CC2CN(c3ncccn3)CC2C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 5/20 0.58
HCRTR1 O43613 10/20 0.58
HCRTR2 O43614 10/20 0.58
STAT3 P40763 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL3580590 0.89 SLC6A7 (0.72) SLC6A7HCRTR1HCRTR2
SCHEMBL3574646 0.89 SLC6A7 (0.58) SLC6A7HCRTR1HCRTR2STAT3HDAC3
SCHEMBL3578757 0.86 SLC6A7 (0.65) SLC6A7HCRTR1HCRTR2HDAC3HDAC4
SCHEMBL3587164 0.86 SLC6A7 (0.56) SLC6A7HCRTR1HCRTR2HDAC3HDAC4
SCHEMBL3583535 0.86 SLC6A7 (0.79) SLC6A7STAT3
SCHEMBL3583118 0.80 SLC6A7 (0.75) SLC6A7HCRTR1HCRTR2
SCHEMBL3583045 0.79 SLC6A7 (0.77) SLC6A7HCRTR1HCRTR2HDAC3HDAC4
SCHEMBL3583247 0.76 HCRTR1 (0.54) SLC6A7HCRTR1HCRTR2
SCHEMBL3823059 0.76 SLC6A7 (0.76) SLC6A7HCRTR1HCRTR2
SCHEMBL3578246 0.75 SLC6A7 (0.77) SLC6A7

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 SLC6A7 1113/4885HCRTR1 71/4885HCRTR2 38/4885
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 SLC6A7 1024/4885HCRTR1 160/4885HCRTR2 127/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885HCRTR1 296/4885HCRTR2 181/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885HCRTR1 210/4885HCRTR2 412/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885HCRTR1 71/4885HCRTR2 38/4885

“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.