SCHEMBL4466641

SCHEMBL4466641

O=C(O)N1CCC(COc2ncc(-c3ccc(S(=O)(=O)CCO)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.37
ACHE P22303 1/20 0.37
AOC3 Q16853 4/20 0.37
CA2 P00918 2/20 0.34
MAP4K4 O95819 1/20 0.34
AOC2 O75106 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HTR2B P41595 2/20 0.34
JAK3 P52333 1/20 0.34
ACACB O00763 1/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL14191524 0.86 GPR119 (0.49) GPR119
SCHEMBL4452034 0.86 CA2 (0.44) GRIN2BACHEAOC3CA2MAP4K4
SCHEMBL4457000 0.86 PTGS2 (0.44) GRIN2BACHEAOC3PTGS1PTGS2
SCHEMBL4461516 0.83 NPY2R (0.40) KCNH2GRIN2BACHEAOC3GPR119
SCHEMBL3981637 0.83 GPR119 (0.48) GPR119
SCHEMBL4455518 0.82 GRIN2B (0.46) KCNH2GRIN2BACHEAOC3MAP4K4
SCHEMBL4456604 0.82 POLB (0.49)
SCHEMBL4456659 0.79 PARP15 (0.48) GRIN2BACHEAOC3MAP4K4GPR119
SCHEMBL4457890 0.79 CNR1 (0.43) GRIN2BACHEAOC3GPR119
SCHEMBL4453746 0.79 SMN1; SMN2 (0.46) KCNH2GRIN2BACHEAOC3ACACB

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 KCNH2 1839/4885GRIN2B 565/4885ACHE 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.