SCHEMBL1241993

SCHEMBL1241993

CN(c1ccc(F)c(F)c1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.39
CHRM5 P08912 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
JAK3 P52333 5/20 0.36
TRPV1 Q8NER1 1/20 0.36
TYR P14679 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PARP14 Q460N5 1/20 0.35
GRIA4 P48058 1/20 0.35
GAA P10253 1/20 0.34
JAK1 P23458 4/20 0.34
JAK2 O60674 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL1241520 0.98 S1PR3 (0.39) S1PR3CHRM5SLC6A2SLC6A4SLC6A3
SCHEMBL1241082 0.96 CHRM5 (0.39) S1PR3CHRM5SLC6A2SLC6A4SLC6A3
SCHEMBL29161898 0.85 JAK3 (0.35) S1PR3CHRM5SLC6A2SLC6A4SLC6A3
SCHEMBL1241024 0.83 AXL (0.40) S1PR3SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL1240988 0.81 TAS1R3 (0.42) S1PR3TAS1R3TAS1R1TAS1R2
SCHEMBL4485887 0.80 HRH4 (0.44) JAK3TRPV1HRH4HRH3GAA
SCHEMBL1242070 0.80 ALDH1A1 (0.44) GAA
SCHEMBL1240840 0.80 KMT2A (0.44) RAB9ASMN1; SMN2
SCHEMBL15013072 0.79 TRPA1 (0.49) JAK3TRPV1HRH4HRH3GAA
SCHEMBL1240994 0.76 CYP1A2 (0.36) SLC6A2SLC6A4SLC6A3RAB9AGAA

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 S1PR3 4696/4885CHRM5 3091/4885SLC6A2 2953/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 S1PR3 4696/4885CHRM5 3091/4885SLC6A2 2953/4885

“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.