SCHEMBL1241628

SCHEMBL1241628

CN(CC1CCCCC1)c1ccc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
EPHX2 P34913 5/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CSF1R P07333 2/20 0.33
ADRA1B P35368 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALOX5 P09917 1/20 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
SCHEMBL1241981 0.86 DAO (0.38) DAOHDAC3HDAC1HDAC2HDAC8
SCHEMBL2668586 0.78 ALOX5 (0.47) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1240861 0.73 EPHX2 (0.39) EPHX2LMNA
SCHEMBL30936605 0.69 CSF1R (0.41) DAOCSF1ROPRM1OPRK1
SCHEMBL6882363 0.69 OPRM1 (0.41) DAOCSF1ROPRM1OPRK1
SCHEMBL20207808 0.69 AKR1B1 (0.41) DAOSLC6A2SLC6A4SLC6A3
SCHEMBL9071940 0.67 ALOX5 (0.38) EPHX2ALOX5
SCHEMBL15998771 0.67 TRPV1 (0.46) DAOCSF1ROPRM1OPRK1
SCHEMBL30936589 0.67 CSF1R (0.40) DAOCSF1ROPRM1OPRK1
SCHEMBL7695978 0.66 EPHX2 (0.40) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US 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
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 (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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 DAO 1452/4885EPHX2 3917/4885HDAC3 2341/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 DAO 1452/4885EPHX2 3917/4885HDAC3 2341/4885

“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.