SCHEMBL3604247

SCHEMBL3604247

CC(O)c1ccnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.52
CACNB4 O00305 2/20 0.47
CACNA1A O00555 2/20 0.47
CACNA1G O43497 2/20 0.47
CACNG3 O60359 2/20 0.47
CACNA1F O60840 2/20 0.47
CACNA1H O95180 2/20 0.47
CACNB3 P54284 2/20 0.47
CACNA2D1 P54289 2/20 0.47
CACNG7 P62955 2/20 0.47
CACNA1B Q00975 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNB1 Q02641 2/20 0.47
CACNG1 Q06432 2/20 0.47
CACNB2 Q08289 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1C Q13936 2/20 0.47
CACNA1E Q15878 2/20 0.47
CACNA2D4 Q7Z3S7 2/20 0.47
CACNA2D3 Q8IZS8 2/20 0.47

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
SCHEMBL3256744 0.85 ACACB (0.43) GPR119
SCHEMBL3174661 0.84 GPR119 (0.54) GPR119
SCHEMBL20227205 0.84 GPR119 (0.54) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL22156950 0.83 GPR119 (0.53) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29826104 0.83 GPR119 (0.52) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL17572116 0.82 GPR119 (0.53) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL20137890 0.82 GPR119 (0.53) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3258915 0.81 GPR119 (0.54) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3255941 0.81 GPR119 (0.52) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL27158018 0.81 GPR119 (0.54) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 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 (3 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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 GPR119 2308/4885CACNB4 3028/4885CACNA1A 1918/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 GPR119 2308/4885CACNB4 3028/4885CACNA1A 1918/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 GPR119 1804/4885CACNB4 3099/4885CACNA1A 1571/4885

“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.