SCHEMBL4460046

SCHEMBL4460046

O=C(O)N1CCC(COc2ncc(-c3ccc(C(=O)N4CCC[C@@H]4CO)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.46
ROCK2 O75116 1/20 0.46
SPHK1 Q9NYA1 3/20 0.44
MET P08581 7/20 0.43
CNR2 P34972 1/20 0.42
POLB P06746 2/20 0.42
ALK Q9UM73 1/20 0.40
VNN1 O95497 1/20 0.39
MAP4K4 O95819 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
SCHEMBL14191531 0.87 GPR119 (0.51) ROCK2
SCHEMBL4049899 0.84 SPHK2 (0.44) SPHK2ROCK2SPHK1METCNR2
SCHEMBL4048867 0.84 SPHK2 (0.44) SPHK2ROCK2SPHK1METCNR2
SCHEMBL16803919 0.83 ROCK2 (0.43) SPHK2ROCK2SPHK1METCNR2
SCHEMBL15537658 0.81 SPHK2 (0.42) SPHK2ROCK2SPHK1METCNR2
SCHEMBL15540246 0.81 SPHK2 (0.42) SPHK2ROCK2SPHK1METCNR2
SCHEMBL4456659 0.80 PARP15 (0.48) MAP4K4
SCHEMBL4457549 0.80 HRH3 (0.47) POLB
SCHEMBL4457038 0.80 POLB (0.51) POLB
SCHEMBL4461701 0.80 HDAC4 (0.44) VNN1

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 SPHK2 3643/4885ROCK2 2736/4885SPHK1 3955/4885

“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.