SCHEMBL2409983

SCHEMBL2409983

CC(C)(C)OC(=O)c1ccc(N2CCC(N)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.51
NAMPT P43490 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
CLK2 P49760 1/20 0.41
MAP4K2 Q12851 1/20 0.41
CAMK2D Q13557 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM3 Q86V86 1/20 0.41
AURKB Q96GD4 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41

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
SCHEMBL2409985 1.00 GPR119 (0.51) GPR119NAMPTCA12CA1CA2
SCHEMBL5207933 0.92 GPR119 (0.56) GPR119CA12CA1CA2CA9
SCHEMBL27670398 0.87 ALDH1A1 (0.47) GPR119NAMPTPRKD3MAP4K4PIM1
SCHEMBL27670397 0.87 ALDH1A1 (0.47) GPR119NAMPTPRKD3MAP4K4PIM1
SCHEMBL12279864 0.85 USP2 (0.52) GPR119CA12CA1CA2CA9
SCHEMBL212011 0.85 GPR119 (0.50) GPR119CA12CA1CA2CA9
SCHEMBL2734367 0.85 GPR119 (0.50) GPR119CA12CA1CA2CA9
SCHEMBL12193417 0.85 GPR119 (0.50) GPR119CA12CA1CA2CA9
SCHEMBL4833816 0.85 ALDH1A1 (0.55) NAMPTPRKD3MAP4K4PIM1CLK2
SCHEMBL14155927 0.85 ALDH1A1 (0.55) NAMPTPRKD3MAP4K4PIM1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134680-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2016-01-13 EP disclosed
US-8354445-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-01-15 US disclosed
US-8030344-B2 Such as (S)-2-(Dimethylamino)ethyl-1-(4-(2-aminophenylcarbamoyl)-phenyl)pyrrolidin-3-ylcarbamate for treating cell proliferative disorders METHYLGENE INC. (CA) 2011-10-04 US disclosed
US-20110212965-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2011-09-01 US disclosed
US-20080227826-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-09-18 US 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-20080227826-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 GPR119 3108/4885NAMPT 498/4885CA12 2567/4885
US-20110212965-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC5 GPR119 3108/4885NAMPT 498/4885CA12 2567/4885

“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.