SCHEMBL5483634

SCHEMBL5483634

CC(=O)OCCn1ccnc(NCCC2CCCCN2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
CHEK2 O96017 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM1A O60341 1/20 0.35
PRMT5 O14744 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
PDE8B O95263 1/20 0.34
METTL3 Q86U44 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SYK P43405 1/20 0.33
OPRD1 P41143 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
NPC1 O15118 1/20 0.32
PDE7B Q9NP56 1/20 0.32

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
SCHEMBL8293870 0.90 ATM (0.40) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5481717 0.85 ATM (0.39) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5479364 0.84 CHEK2 (0.39) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5475019 0.84 ATM (0.37) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5484745 0.75 ATM (0.39) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5483612 0.75 ATM (0.39) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL6929664 0.74 CHEK2 (0.42) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5475212 0.74 ATM (0.37) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5479621 0.73 ATM (0.39) ATMCHEK2TRPV1IRAK4KDM1A
SCHEMBL5479174 0.73 ATM (0.39) ATMCHEK2TRPV1IRAK4KDM1A

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 3 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

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 ATM 1490/4885CHEK2 2556/4885TRPV1 3145/4885

“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.