SCHEMBL5475869

SCHEMBL5475869

CCOC(=O)Cn1c(C)cnc(NCCN2CCC(F)(F)CC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.39
PRSS1 P07477 10/20 0.39
PRSS2 P07478 8/20 0.39
PRSS3 P35030 8/20 0.39
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL5478498 0.86 TLR9 (0.48) TLR9
SCHEMBL5483623 0.83 F2 (0.35) F2PRSS1PRSS2PRSS3HTR1A
SCHEMBL5474694 0.74 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL5475437 0.74 F2 (0.58) F2PRSS1PRSS2PRSS3
SCHEMBL7139116 0.74 KDM4E (0.45) F2PRSS1PRSS2PRSS3
SCHEMBL7459174 0.73 LMNA (0.48) F2PRSS1TLR9
SCHEMBL5474623 0.73 F2 (0.52) F2PRSS1
SCHEMBL7158554 0.72 F2 (0.63) F2PRSS1
SCHEMBL5479394 0.71 F2 (0.50) F2PRSS1
SCHEMBL14423552 0.70 F2 (0.65) F2PRSS1PRSS2PRSS3

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.