SCHEMBL4457038

SCHEMBL4457038

CN1CCN(C(=O)c2ccc(-c3cnc(OCC4CCN(C(=O)O)CC4)nc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KCNH2 Q12809 3/20 0.46
NPC1 O15118 1/20 0.46
BMPR1B O00238 2/20 0.45
BMPR1A P36894 2/20 0.45
ACVRL1 P37023 2/20 0.45
ACVR1 Q04771 2/20 0.45
TGFBR1 P36897 1/20 0.45
HPGD P15428 1/20 0.44
HTR2B P41595 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
CYP3A4 P08684 1/20 0.43
CHKA P35790 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FASN P49327 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL4457549 0.88 HRH3 (0.47) POLBKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL14191538 0.87 GPR119 (0.54) CHEK2
SCHEMBL4461701 0.85 HDAC4 (0.44) HTR2BHRH3CHEK2
SCHEMBL4455528 0.84 HRH3 (0.47) HRH3L3MBTL3
SCHEMBL4461819 0.84 CHRM4 (0.43) HPGD
SCHEMBL4456659 0.84 PARP15 (0.48) MKNK1MKNK2CHEK2
SCHEMBL4455478 0.83 GPR119 (0.46) CYP3A4
SCHEMBL3984718 0.83 GPR119 (0.56) POLBNPC1HRH3MKNK1MKNK2
SCHEMBL4455454 0.81 GPR119 (0.46) HPGDHRH3
SCHEMBL4455518 0.80 GRIN2B (0.46) KCNH2

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 POLB 4644/4885KCNH2 1839/4885NPC1 848/4885

“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.