SCHEMBL1241082

SCHEMBL1241082

CN(c1ccc(F)c(F)c1)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
S1PR3 Q99500 1/20 0.38
GRIA4 P48058 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
TRPV1 Q8NER1 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
TYR P14679 1/20 0.32
TRPA1 O75762 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL1241520 0.98 S1PR3 (0.39) CHRM5S1PR3GRIA4SLC6A2SLC6A4
SCHEMBL1241993 0.96 S1PR3 (0.39) CHRM5S1PR3GRIA4SLC6A2SLC6A4
SCHEMBL1241024 0.82 AXL (0.40) S1PR3SLC6A2SLC6A4SLC6A3TAS1R3
SCHEMBL1240988 0.81 TAS1R3 (0.42) S1PR3TAS1R3TAS1R1TAS1R2TRPA1
SCHEMBL29161898 0.81 JAK3 (0.35) CHRM5S1PR3SLC6A2SLC6A4SLC6A3
SCHEMBL1242070 0.80 ALDH1A1 (0.44)
SCHEMBL1240840 0.80 KMT2A (0.44)
SCHEMBL2790916 0.78 DDB1 (0.49) SLC6A2SLC6A4SLC6A3TRPV1JAK2
SCHEMBL16634669 0.77 ALDH1A1 (0.46)
SCHEMBL1240994 0.75 CYP1A2 (0.36) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1

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 CHRM5 3091/4885S1PR3 4696/4885GRIA4 3833/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CHRM5 3091/4885S1PR3 4696/4885GRIA4 3833/4885

“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.