SCHEMBL3586787

SCHEMBL3586787

CCOP(=O)(COCc1ccc(Br)cc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAOB P27338 2/20 0.36
TSHR P16473 1/20 0.36
FPR2 P25090 4/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
APP P05067 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9379233 0.84 POLB (0.39) KMT2AMEN1NPSR1GAALMNA
SCHEMBL4586654 0.83 TSHR (0.54) IDO1KMT2AMEN1NPSR1GAA
SCHEMBL4150229 0.83 TSHR (0.48) NPSR1POLBTSHR
SCHEMBL675546 0.79 KMT2A (0.42) KMT2AMEN1NPSR1GAALMNA
SCHEMBL9302172 0.79 TSHR (0.44) KMT2AMEN1NPSR1LMNATSHR
SCHEMBL4802894 0.78 ALDH1A1 (0.38) LMNAAPPHPGD
SCHEMBL2301523 0.77 TSHR (0.48) IDO1KMT2AMEN1NPSR1GAA
SCHEMBL26486038 0.76 TAAR1 (0.44) KMT2AMEN1NPSR1GAALMNA
SCHEMBL4172466 0.76 KMT2A (0.40) KMT2AMEN1NPSR1GAALMNA
SCHEMBL5048050 0.76 IDO1 (0.54) IDO1GAAPOLBCTDSP1MAOB

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-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-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 IDO1 1359/4885KMT2A 1789/4885MEN1 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 IDO1 3006/4885KMT2A 651/4885MEN1 2823/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A IDO1 4192/4885KMT2A 464/4885MEN1 4522/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP IDO1 3189/4885KMT2A 426/4885MEN1 1620/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT IDO1 1359/4885KMT2A 1789/4885MEN1 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.