SCHEMBL4526795

SCHEMBL4526795

N#Cc1cc(CCCO)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PARP14 Q460N5 1/20 0.34
RECQL P46063 1/20 0.34
CHEK1 O14757 3/20 0.33
PDE4A P27815 1/20 0.33
XDH P47989 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
GRM2 Q14416 1/20 0.32
KIT P10721 1/20 0.32
BRAF P15056 1/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32

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
SCHEMBL2020180 0.89 MYC (0.41) MYCPARP14RECQLCHEK1PDE4A
SCHEMBL10646424 0.84 MYC (0.36) MYCPARP14RECQLCHEK1XDH
SCHEMBL13063486 0.83 MYC (0.35) MYCPARP14RECQLPDE4AXDH
SCHEMBL7472832 0.83 CA2 (0.35) LTA4HEPHX2RECQL
SCHEMBL454924 0.82 RECQL (0.52) MYCCYP11B1CYP11B2PARP14RECQL
SCHEMBL5509083 0.81 HSD17B10 (0.45)
SCHEMBL7694745 0.80 HSD17B10 (0.47)
SCHEMBL10992432 0.80 HSD17B10 (0.47)
SCHEMBL9440126 0.80 HSD17B10 (0.47)
SCHEMBL14614499 0.79 LOXL2 (0.45) MYCRECQLXDHABCG2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20080312281-A1 G-Protein Coupled Receptor (Gpr116) Agonists and Use Thereof for Treating Obesity and Diabetes PROSIDION LIMITED (GB) 2008-12-18 US disclosed
US-20080312281-A1 G-Protein Coupled Receptor (Gpr116) Agonists and Use Thereof for Treating Obesity and Diabetes PROSIDION LIMITED (GB) 2008-12-18 US disclosed
US-20080312281-A1 G-Protein Coupled Receptor (Gpr116) Agonists and Use Thereof for Treating Obesity and Diabetes PROSIDION LIMITED (GB) 2008-12-18 US disclosed
EP-1838311-A1 G-PROTEIN COUPLED RECEPTOR (GPR116) AGONISTS AND USE THEREOF FOR TREATING OBESITY AND DIABETES Prosidion Limited (GB) 2007-10-03 EP disclosed
CN-1898235-A Heterocyclic derivatives as gpcr receptor agonists PROSIDION LTD (GB) 2007-01-17 CN disclosed
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2006067531-A1 G-PROTEIN COUPLED RECEPTOR (GPR116) AGONISTS AND USE THEREOF FOR TREATING OBESITY AND DIABETES PROSIDION LTD (GB) 2006-06-29 WO disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 WO 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 (2 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R MYC 3993/4885LTA4H 1571/4885EPHX2 3081/4885
US-20080312281-A1 G-Protein Coupled Receptor (Gpr116) Agonists and Use Thereof for Treating Obesity and Diabetes GPR119, GCGR, GPR65 MYC 3465/4885LTA4H 1453/4885EPHX2 2810/4885

“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.