SCHEMBL5483623

SCHEMBL5483623

Cc1cnc(NCCN2CCC(F)(F)CC2)c(=O)n1CCO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.35
SIGMAR1 Q99720 3/20 0.35
KAT2B Q92831 4/20 0.34
PRSS1 P07477 3/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL5479118 0.84 CYP3A4 (0.45) KCNH2
SCHEMBL5475869 0.83 F2 (0.39) F2PRSS1HTR1APRSS2PRSS3
SCHEMBL8292344 0.74 F2 (0.37) F2SIGMAR1PRSS1PRSS2PRSS3
SCHEMBL5474673 0.72 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL5475166 0.72 KAT2B (0.44) SIGMAR1KAT2BKCNH2
SCHEMBL7459174 0.71 LMNA (0.48) F2PRSS1KCNH2
SCHEMBL5479608 0.70 F2 (0.48) F2PRSS1
SCHEMBL5481680 0.69 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL5477450 0.68 F2 (0.39) F2KAT2BPRSS1PRSS2PRSS3
SCHEMBL5478498 0.68 TLR9 (0.48)

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 1/4885SIGMAR1 2454/4885KAT2B 3146/4885

“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.