SCHEMBL4457020

SCHEMBL4457020

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
AOC3 Q16853 3/20 0.40
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 3/20 0.39
BCHE P06276 2/20 0.39
BRD4 O60885 1/20 0.39
MAOB P27338 1/20 0.39
KDM1A O60341 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 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
SCHEMBL4453746 0.90 SMN1; SMN2 (0.46) KMT2AMEN1HTTAOC3GRIN2B
SCHEMBL14191511 0.87 PTPN2 (0.56) ALDH1A1KDM4EPTPN2PTPN1PTPN6
SCHEMBL4461819 0.85 CHRM4 (0.43) AOC3GRIN2BACHE
SCHEMBL4457890 0.84 CNR1 (0.43) AOC3GRIN2BACHE
SCHEMBL4455518 0.81 GRIN2B (0.46) AOC3GRIN2BACHE
SCHEMBL4457000 0.81 PTGS2 (0.44) AOC3GRIN2BACHE
SCHEMBL4456659 0.80 PARP15 (0.48) AOC3GRIN2BACHE
SCHEMBL4455478 0.80 GPR119 (0.46) AOC3GRIN2BALDH1A1ACHE
SCHEMBL4452034 0.78 CA2 (0.44) KMT2AMEN1AOC3GRIN2BACHE
SCHEMBL4455454 0.78 GPR119 (0.46) MAPTALDH1A1

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 KMT2A 4781/4885MEN1 2738/4885HTT 2241/4885

“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.