SCHEMBL4453746

SCHEMBL4453746

CC(=O)Nc1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HTR2A P28223 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 1/20 0.44
AOC3 Q16853 3/20 0.43
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
GRIN2B Q13224 1/20 0.41
ACACB O00763 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
FASN P49327 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL4457020 0.90 KMT2A (0.42) SMN1; SMN2AOC3HTTGRIN2BMEN1
SCHEMBL14191514 0.87 PTPN2 (0.57) PTPN2PTPN1PTPN6
SCHEMBL4457890 0.85 CNR1 (0.43) AOC3GRIN2BHRH3ACHE
SCHEMBL4461819 0.83 CHRM4 (0.43) AOC3GRIN2BDRD2DRD4ACHE
SCHEMBL3983094 0.82 CYP4F2 (0.52) SMN1; SMN2DRD2DRD4
SCHEMBL4455518 0.82 GRIN2B (0.46) HTR2AKCNH2HTR4AOC3GRIN2B
SCHEMBL4457000 0.81 PTGS2 (0.44) AOC3GRIN2BACHE
SCHEMBL4456659 0.81 PARP15 (0.48) AOC3GRIN2BACHE
SCHEMBL4455478 0.80 GPR119 (0.46) AOC3TSHRGRIN2BALDH1A1ACHE
SCHEMBL4452034 0.79 CA2 (0.44) AOC3GRIN2BMEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO 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 SMN1; SMN2 3015/4885HTR2A 376/4885KCNH2 1839/4885

“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.