SCHEMBL6929569

SCHEMBL6929569

CC(C)(C)OC(=O)N1CCCCC1CCNc1nccc(O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
KDM1A O60341 1/20 0.38
PRMT5 O14744 1/20 0.37
ATM Q13315 2/20 0.37
GPR119 Q8TDV5 9/20 0.37
TRPV1 Q8NER1 2/20 0.37
PDE8B O95263 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 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
SCHEMBL6929664 0.85 CHEK2 (0.42) CHEK2KDM1APRMT5ATMTRPV1
SCHEMBL19665712 0.76 ALDH1A1 (0.42) CHEK2ATMTRPV1NPC1
SCHEMBL8293870 0.74 ATM (0.40) CHEK2KDM1APRMT5ATMTRPV1
SCHEMBL19665738 0.74 PRKCQ (0.40) CHEK2TRPV1NPC1
SCHEMBL18285457 0.73 OPRD1 (0.42) KDM1APRMT5GPR119TRPV1NPC1
SCHEMBL18285458 0.73 OPRD1 (0.42) KDM1APRMT5GPR119TRPV1NPC1
SCHEMBL5481717 0.72 ATM (0.39) CHEK2KDM1APRMT5ATMTRPV1
SCHEMBL21611438 0.72 GPR119 (0.45) CHEK2PRMT5GPR119PDE8B
SCHEMBL5483634 0.72 ATM (0.38) CHEK2KDM1APRMT5ATMTRPV1
SCHEMBL8406910 0.71 GPR119 (0.41) GPR119NPC1

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 4055/4885KDM1A 2931/4885PRMT5 903/4885

“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.