SCHEMBL6695515

SCHEMBL6695515

NCC1CN(CCO)CCO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDK1 Q15118 1/20 0.35
CHEK1 O14757 8/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 4/20 0.33
DRD2 P14416 1/20 0.32
SLC18A3 Q16572 1/20 0.32
CHEK2 O96017 5/20 0.32
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKCQ Q04759 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13337770 0.83 KDM4E (0.44) KDM4EALDH1A1PDK1DRD4DRD3
SCHEMBL6064721 0.81 KDM4E (0.42) KDM4EALDH1A1PDK1DRD4DRD3
SCHEMBL1037760 0.79 DRD4 (0.36) PDK1CHEK1DRD4DRD3DRD2
SCHEMBL4190132 0.78 GLA (0.41) KDM4EALDH1A1PDK1DRD4DRD3
SCHEMBL29048494 0.78 PDK1 (0.46) PDK1DRD4DRD3DRD2
SCHEMBL4192102 0.77 ALDH1A1 (0.39) KDM4EALDH1A1PDK1DRD4DRD3
SCHEMBL5150493 0.77 PDK1 (0.53) KDM4EALDH1A1PDK1DRD4DRD2
SCHEMBL15925117 0.77 KDM4E (0.39) KDM4EALDH1A1PDK1DRD4DRD3
SCHEMBL295933 0.77 PDK1 (0.53) KDM4EALDH1A1PDK1DRD4DRD2
SCHEMBL13355359 0.77 CYP1A2 (0.41) ALDH1A1MAPK1

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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 KDM4E 524/4885ALDH1A1 3282/4885PDK1 198/4885

“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.