SCHEMBL1241493

SCHEMBL1241493

CN(c1cccc(Br)c1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MBTD1 Q05BQ5 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
EZH2 Q15910 1/20 0.36
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
HRH3 Q9Y5N1 4/20 0.35
HTR7 P34969 1/20 0.35
ABCB11 O95342 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL14242799 0.98 ALDH1A1 (0.38) ALDH1A1MAPK1MBTD1L3MBTL3TAAR1
SCHEMBL1419786 0.93 ALDH1A1 (0.39) ALDH1A1MAPK1MBTD1L3MBTL3TAAR1
SCHEMBL25967728 0.85 DDB1 (0.37) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL11692239 0.80 POLB (0.47) HTR2AHTR2CSIGMAR1NPSR1TDP1
SCHEMBL25965346 0.79 SLC6A2 (0.41) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL10887293 0.79 POLB (0.49) ALDH1A1SIGMAR1NPSR1TDP1
SCHEMBL25967729 0.78 OPRD1 (0.45) ALDH1A1MBTD1L3MBTL3L3MBTL1HTT
SCHEMBL8663291 0.77 ALDH1A1 (0.53) ALDH1A1HTR7SLC6A2SLC6A4SLC6A3
SCHEMBL1466290 0.77 CYP3A4 (0.37) ALDH1A1SIGMAR1CYP3A4
SCHEMBL11693073 0.77 ALDH1A1 (0.47) ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 EP disclosed
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
CN-101263131-B Urea glucokinase activators TRANSTECH PHARMA INC 2013-04-24 CN disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 WO disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 WO disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
CN-101263131-A Urea glucokinase activators NOVO NORDISK AS (US) 2008-09-10 CN disclosed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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 (3 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 ALDH1A1 730/4885MAPK1 910/4885MBTD1 3132/4885
US-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885MAPK1 1202/4885MBTD1 3999/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885MAPK1 1202/4885MBTD1 3999/4885

“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.