SCHEMBL5478498

SCHEMBL5478498

CCOC(=O)Cn1c(C)cnc(NCCN2CCOCC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.48
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
FYN P06241 1/20 0.42
PDE5A O76074 2/20 0.41
PDE6A P16499 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
SCHEMBL7459174 0.87 LMNA (0.48) TLR9KMT2AKDM4EHSD17B10MEN1
SCHEMBL5475869 0.86 F2 (0.39) TLR9
SCHEMBL5479118 0.83 CYP3A4 (0.45) TLR9GAAKMT2APOLBKDM4E
SCHEMBL5474694 0.76 F2 (0.64)
SCHEMBL5475437 0.75 F2 (0.58)
SCHEMBL7139116 0.75 KDM4E (0.45) ALDH1A1KMT2AKDM4EHSD17B10MEN1
SCHEMBL5474623 0.74 F2 (0.52) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7158554 0.73 F2 (0.63)
SCHEMBL16474220 0.73 TLR9 (0.69) TLR9ALDH1A1KMT2APOLBKDM4E
SCHEMBL5479394 0.73 F2 (0.50) KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 TLR9 4358/4885GAA 2210/4885ALDH1A1 716/4885

“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.