SCHEMBL1241626

SCHEMBL1241626

CC(Nc1ccc(F)c(F)c1F)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.43
IDH1 O75874 2/20 0.40
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
PIM1 P11309 1/20 0.39
PLK1 P53350 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
AURKB Q96GD4 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL1241980 0.86 IDH1 (0.43) EPHX2LMNANPC1IDH1DAPK3
SCHEMBL10655311 0.77 NPC1 (0.45) EPHX2LMNANPC1ALDH1A1TAS1R3
SCHEMBL2331577 0.73 EPHX2 (0.51) EPHX2LMNANPC1ALDH1A1SCN1A
SCHEMBL1240997 0.72 NPC1 (0.47) LMNANPC1IDH1DAPK3ROCK2
SCHEMBL8870840 0.72 IDH1 (0.45) NPC1IDH1DAPK3ROCK2CHEK2
Cyclohexylamine SCHEMBL2331574 0.72 EPHX2 (0.47) EPHX2LMNANPC1ALDH1A1POLB
SCHEMBL3343884 0.71 DAPK3 (0.50) EPHX2LMNANPC1DAPK3ROCK2
SCHEMBL9847935 0.67 EPHX2 (0.49) EPHX2LMNAROCK2ALDH1A1TAS1R3
SCHEMBL14567687 0.67 ALDH1A1 (0.47) EPHX2LMNANPC1ALDH1A1POLB
SCHEMBL6938817 0.67 KDM4E (0.50) ALDH1A1TAS1R3TAS1R1RAB9A

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 EPHX2 3917/4885LMNA 3732/4885NPC1 4026/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 EPHX2 3917/4885LMNA 3732/4885NPC1 4026/4885

“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.