SCHEMBL3610965

SCHEMBL3610965

CC(C)(C)OC(=O)NC1CCN(C[C@@H]2COc3c(F)cc(C=CC(=O)O)c4ccc(=O)n2c34)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
DRD2 P14416 3/20 0.37
KDM4D Q6B0I6 5/20 0.36
AAK1 Q2M2I8 2/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CCR5 P51681 1/20 0.34
MAPK8 P45983 1/20 0.34
NPY5R Q15761 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
USP14 P54578 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL3610961 1.00 KCNA3 (0.38) KCNA3DRD2KDM4DAAK1PARP1
Hydrochloric Acid SCHEMBL3615584 0.83 PKM (0.33)
SCHEMBL3609928 0.78 KCNH2 (0.53)
SCHEMBL3609924 0.78 KCNH2 (0.53)
SCHEMBL3615732 0.78 PKM (0.35)
SCHEMBL3608751 0.76 PKM (0.35) DRD2
SCHEMBL3608745 0.76 PKM (0.35) DRD2
SCHEMBL3615008 0.75 KCNA3 (0.36) KCNA3DRD2KDM4DAAK1CCR5
SCHEMBL3609957 0.75 KCNA3 (0.36) KCNA3DRD2KDM4DAAK1CCR5
SCHEMBL4590167 0.75 KCNA3 (0.41) KCNA3DRD2KDM4DCCR5

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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS KCNA3 3759/4885DRD2 2044/4885KDM4D 3966/4885

“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.