SCHEMBL5476115

SCHEMBL5476115

CC(=O)OCCn1c(Cl)cnc(NCCC2CCCCN2CC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
F10 P00742 2/20 0.36
PLAT P00750 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL5475153 0.90 F2 (0.36) F2PRSS1PRSS2PRSS3F10
SCHEMBL5478507 0.90 LTA4H (0.38) F2PRSS1PRSS2PRSS3F10
SCHEMBL5479579 0.89 F2 (0.34) F2PRSS1PRSS2PRSS3F10
SCHEMBL5475019 0.87 ATM (0.37) IRAK4ALDH1A1SYK
SCHEMBL5476014 0.85 CHRNB2 (0.37) F2IRAK4ALDH1A1
SCHEMBL5474454 0.79 F2 (0.38) F2PRSS1PRSS2PRSS3F10
SCHEMBL5479364 0.78 CHEK2 (0.39) F2PRSS1PRSS2PRSS3IRAK4
SCHEMBL8294507 0.77 F2 (0.40) F2PRSS1PRSS2PRSS3F10
SCHEMBL5483612 0.77 ATM (0.39) IRAK4ALDH1A1
SCHEMBL5474422 0.77 F2 (0.37) F2PRSS1PRSS2PRSS3IRAK4

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 5 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
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
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
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 F2 1/4885PRSS1 67/4885PRSS2 157/4885

“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.