SCHEMBL739596

SCHEMBL739596

CN(c1cc(F)ccc1F)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KCNH2 Q12809 1/20 0.39
IDO1 P14902 2/20 0.39
GAA P10253 1/20 0.38
JAK3 P52333 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
DPP4 P27487 2/20 0.35
DPP9 Q86TI2 2/20 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
SCHEMBL1242072 0.87 DDB1 (0.52) DDB1CRBNKCNH2IDO1GAA
SCHEMBL30936699 0.81 ALDH1A1 (0.43) DDB1CRBNKCNH2IDO1GAA
SCHEMBL29157521 0.79 DDB1 (0.55) DDB1CRBNIDO1ALDH1A1DPP4
SCHEMBL1240861 0.78 EPHX2 (0.39) IDO1GAAJAK3JAK2JAK1
SCHEMBL6229055 0.78 GAA (0.41) DDB1CRBNIDO1GAAJAK3
SCHEMBL1717738 0.77 DDB1 (0.39) DDB1CRBNIDO1GAAJAK3
SCHEMBL1241520 0.74 S1PR3 (0.39) JAK3ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL28111070 0.74 DDB1 (0.31) DDB1CRBNDPP4DPP9DPP8
SCHEMBL1241612 0.74 MAPT (0.39) DDB1CRBNKCNH2IDO1GAA
SCHEMBL1136265 0.74 HTT (0.56) KCNH2IDO1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138185-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-03-20 US disclosed
US-20100009989-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-01-14 US disclosed
EP-2118083-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-11-18 EP disclosed
WO-2008084043-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 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 (1 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-20100009989-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PSEN1 3149/4885PSEN2 1740/4885APH1B 2445/4885

“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.