SCHEMBL18685342

SCHEMBL18685342

CC(C)CC(N)c1nc(C2CCC2)nn1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.36
AAK1 Q2M2I8 2/20 0.32
PSMB8 P28062 2/20 0.32
PSMB9 P28065 2/20 0.32
PSMB5 P28074 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
SCHEMBL18685454 1.00 TDP2 (0.36) TDP2AAK1PSMB8PSMB9PSMB5
SCHEMBL18685287 1.00 TDP2 (0.36) TDP2AAK1PSMB8PSMB9PSMB5
SCHEMBL26067137 0.72 TDP2 (0.42) TDP2
SCHEMBL20320448 0.67 TDP2 (0.49) TDP2
SCHEMBL16232148 0.59 AAK1 (0.37) AAK1
SCHEMBL16232145 0.59 AAK1 (0.37) AAK1
SCHEMBL4470815 0.58 TDP2 (0.46) TDP2
SCHEMBL20320451 0.58 TDP2 (0.50) TDP2
SCHEMBL23686272 0.58 AAK1 (0.33) AAK1
SCHEMBL31546906 0.57 TDP2 (0.45) TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 TDP2 1993/4885AAK1 1517/4885PSMB8 2013/4885

“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.