SCHEMBL4455528

SCHEMBL4455528

CN(C)C1CCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)O)CC4)nc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.47
ATR Q13535 4/20 0.47
L3MBTL3 Q96JM7 1/20 0.46
MCHR1 Q99705 1/20 0.43
JAK2 O60674 1/20 0.42
VNN1 O95497 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL14191535 0.88 GPR119 (0.57) GPR119
SCHEMBL4461701 0.86 HDAC4 (0.44) HRH3ATRVNN1
SCHEMBL4457038 0.84 POLB (0.51) HRH3L3MBTL3
SCHEMBL4455478 0.84 GPR119 (0.46) GPR119
SCHEMBL4457549 0.82 HRH3 (0.47) HRH3
SCHEMBL4461819 0.81 CHRM4 (0.43) GPR119
SCHEMBL4456659 0.80 PARP15 (0.48) GPR119
SCHEMBL4455454 0.80 GPR119 (0.46) HRH3GPR119
SCHEMBL4455531 0.79 IKBKB (0.47)
SCHEMBL4461516 0.78 NPY2R (0.40) GPR119

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 HRH3 309/4885ATR 4254/4885L3MBTL3 4521/4885

“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.