SCHEMBL4364822

SCHEMBL4364822

CC(C)COC(=O)N1CCC(Oc2cccc([C@H](C)O)c2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.41
KIT P10721 1/20 0.39
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.38
SCD O00767 1/20 0.38
EPHX2 P34913 1/20 0.37
PDE4B Q07343 1/20 0.37
MMP13 P45452 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL4559721 0.85 MGLL (0.44) GPR119KITMGLLSCDEPHX2
SCHEMBL13462918 0.84 KDM1A (0.52) GPR119PDE4BKDM1A
SCHEMBL3253832 0.84 KDM1A (0.52) GPR119PDE4BKDM1A
SCHEMBL14746764 0.79 SCD (0.48) GPR119SCDEPHX2
SCHEMBL3928952 0.77 JAK2 (0.46) GPR119LMNA
SCHEMBL3720029 0.75 KDM4E (0.45) GPR119LMNA
SCHEMBL3718944 0.73 GPR119 (0.42) GPR119
SCHEMBL3717758 0.73 TLR9 (0.47) GPR119
SCHEMBL3714939 0.73 GPR119 (0.46) GPR119PDE4B
SCHEMBL3914633 0.73 MLNR (0.49) GPR119MGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 GPR119 2308/4885KIT 179/4885MGLL 1625/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 GPR119 2308/4885KIT 179/4885MGLL 1625/4885

“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.