SCHEMBL3586199

SCHEMBL3586199

O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
BACE1 P56817 2/20 0.56
TRPV1 Q8NER1 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SLC6A7 Q99884 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ABL1 P00519 1/20 0.50
LMNA P02545 1/20 0.50
HSD11B1 P28845 1/20 0.50
AVPR1A P37288 1/20 0.50
MGLL Q99685 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL3574681 0.91 SLC6A7 (0.55) BCHEACHEBACE1TRPV1L3MBTL1
SCHEMBL3574653 0.87 SLC6A7 (0.67) TRPV1ALDH1A1SLC6A7KDM4EHSD11B1
SCHEMBL3580959 0.85 MGLL (0.59) BCHEACHEBACE1L3MBTL1ALDH1A1
SCHEMBL3582926 0.81 SLC6A7 (0.77) BCHEACHEBACE1TRPV1L3MBTL1
SCHEMBL3578352 0.81 KDM4E (0.54) BCHEACHEBACE1L3MBTL1ALDH1A1
SCHEMBL3586064 0.80 ALDH1A1 (0.55) L3MBTL1ALDH1A1SLC6A7MAPK1AVPR1A
SCHEMBL3579865 0.76 HSD11B1 (0.58) BCHEACHEBACE1TRPV1L3MBTL1
SCHEMBL14893709 0.75 AVPR1A (0.64) BCHEACHEBACE1TRPV1AVPR1A
SCHEMBL27722977 0.74 RIPK1 (0.61) ALDH1A1KDM4EAVPR1ASMN1; SMN2HTT
SCHEMBL14893708 0.74 BCHE (0.60) BCHEACHEBACE1TRPV1L3MBTL1

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 13 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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION 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 BCHE 13/4885ACHE 6/4885BACE1 18/4885
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 BCHE 9/4885ACHE 4/4885BACE1 13/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A BCHE 54/4885ACHE 4/4885BACE1 35/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP BCHE 14/4885ACHE 11/4885BACE1 7/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT BCHE 13/4885ACHE 6/4885BACE1 18/4885

“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.