SCHEMBL5474454

SCHEMBL5474454

CC(C)(C)OC(=O)CN1CCCCC1CCNc1ncc(Cl)n(CCNCc2n[nH]c3ccc(Cl)cc23)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.38
F10 P00742 3/20 0.38
PLAT P00750 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
CNR1 P21554 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1G O43497 1/20 0.32
HTR3A P46098 1/20 0.32
DYRK1A Q13627 2/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
RBP4 P02753 1/20 0.31

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
SCHEMBL5477502 0.90 F2 (0.41) F2F10PLATPRSS1PRSS2
SCHEMBL5479053 0.90 ALDH1A1 (0.37) F2CNR1ALDH1A1LMNACCNC
SCHEMBL5471503 0.89 F2 (0.38) F2F10PLATPRSS1PRSS2
SCHEMBL8292379 0.87 F2 (0.37) F2F10PLATPRSS1PRSS2
SCHEMBL8294721 0.87 F2 (0.40) F2F10PLATPRSS1PRSS2
SCHEMBL5475153 0.82 F2 (0.36) F2F10PLATPRSS1PRSS2
SCHEMBL8293958 0.81 F2 (0.42) F2F10PLATPRSS1PRSS2
SCHEMBL5476856 0.79 F2 (0.44) F2PRSS1KDM4EALDH1A1HSD17B10
SCHEMBL5476115 0.79 F2 (0.36) F2F10PLATPRSS1PRSS2
SCHEMBL5475231 0.79 F2 (0.51) F2F10PLATPRSS1PRSS2

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 4 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

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 1/4885F10 11/4885PLAT 12/4885

“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.