SCHEMBL6929664

SCHEMBL6929664

CC(C)(C)OC(=O)N1CCCCC1CCNc1nccc(O)c1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.42
PDE8B O95263 1/20 0.41
KDM1A O60341 1/20 0.40
ATM Q13315 2/20 0.39
PRMT5 O14744 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
UCHL1 P09936 1/20 0.36
OPRD1 P41143 1/20 0.36
NPC1 O15118 1/20 0.35
METTL3 Q86U44 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL6929569 0.85 CHEK2 (0.39) CHEK2PDE8BKDM1AATMPRMT5
SCHEMBL8293870 0.77 ATM (0.40) CHEK2PDE8BKDM1AATMPRMT5
SCHEMBL23029738 0.74 ATM (0.47) CHEK2PDE8BKDM1AATMOPRD1
SCHEMBL5483634 0.74 ATM (0.38) CHEK2PDE8BKDM1AATMPRMT5
SCHEMBL5481717 0.74 ATM (0.39) CHEK2PDE8BKDM1AATMPRMT5
SCHEMBL29802905 0.74 ALOX5AP (0.40) CHEK2PDE8BKDM1AATMALOX5AP
SCHEMBL19665600 0.74 ALOX5AP (0.40) CHEK2PDE8BKDM1AATMALOX5AP
SCHEMBL13202546 0.73 ATM (0.46) CHEK2PDE8BKDM1AATMOPRD1
SCHEMBL5484745 0.73 ATM (0.39) CHEK2PDE8BKDM1AATMPRMT5
SCHEMBL23988631 0.73 CHEK2 (0.50) CHEK2PDE8BATMALOX5APFEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225131-A1 Thrombin inhibitors BURGEY CHRISTOPHER S (US) 2003-12-04 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-20030225131-A1 Thrombin inhibitors TFPI, SERPINC1, PLAT CHEK2 4055/4885PDE8B 970/4885KDM1A 2931/4885

“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.