SCHEMBL4455518

SCHEMBL4455518

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.46
ACHE P22303 1/20 0.43
EP300 Q09472 2/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
AOC3 Q16853 4/20 0.40
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR4 Q13639 1/20 0.38
MAP4K4 O95819 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL4456659 0.85 PARP15 (0.48) GRIN2BACHEAOC3MAP4K4GPR119
SCHEMBL4457518 0.85 ACHE (0.43) GRIN2BACHEAOC3MAP4K4JAK3
SCHEMBL4462562 0.85 GPR119 (0.57) GRIN2BGPR119
SCHEMBL4461819 0.83 CHRM4 (0.43) GRIN2BACHEAOC3MAP4K4GPR119
SCHEMBL4457000 0.83 PTGS2 (0.44) GRIN2BACHEAOC3GPR119CKS1B
SCHEMBL4452034 0.83 CA2 (0.44) GRIN2BACHEAOC3MAP4K4GPR119
SCHEMBL4466641 0.82 KCNH2 (0.40) GRIN2BACHEAOC3KCNH2MAP4K4
SCHEMBL4455478 0.82 GPR119 (0.46) GRIN2BACHEAOC3MAP4K4GPR119
SCHEMBL4453746 0.82 SMN1; SMN2 (0.46) GRIN2BACHEAOC3HTR2AKCNH2
SCHEMBL4453710 0.81 GSK3A (0.42) GRIN2BACHEAOC3MAP4K4

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 GRIN2B 565/4885ACHE 3328/4885EP300 3995/4885

“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.