SCHEMBL4455478

SCHEMBL4455478

CN(C)C(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.46
CSNK2A1 P68400 1/20 0.43
ACHE P22303 1/20 0.42
CYP1A2 P05177 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIN2B Q13224 1/20 0.41
USP30 Q70CQ3 1/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAP4K4 O95819 1/20 0.40
AOC3 Q16853 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL4455454 0.89 GPR119 (0.46) GPR119ALDH1A1
SCHEMBL14191518 0.87 GPR119 (0.63) GPR119USP30
SCHEMBL4461819 0.86 CHRM4 (0.43) GPR119ACHEGRIN2BMAP4K4AOC3
SCHEMBL4456659 0.85 PARP15 (0.48) GPR119ACHEGRIN2BMAP4K4AOC3
SCHEMBL4455528 0.84 HRH3 (0.47) GPR119
SCHEMBL4455531 0.84 IKBKB (0.47) ALDH1A1
SCHEMBL4457038 0.83 POLB (0.51) CYP3A4
SCHEMBL4461516 0.83 NPY2R (0.40) GPR119ACHEALDH1A1GRIN2BAOC3
SCHEMBL4455518 0.82 GRIN2B (0.46) GPR119ACHEGRIN2BMAP4K4AOC3
SCHEMBL4457000 0.81 PTGS2 (0.44) GPR119ACHEGRIN2BAOC3

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-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 GPR119 1/4885CSNK2A1 1141/4885ACHE 3328/4885

“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.