SCHEMBL5597044

SCHEMBL5597044

CC(C)(C)OC(=O)N1CCCC(N2CCc3cnc(N)c4cccc2c34)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
SRC P12931 5/20 0.42
EGFR P00533 3/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
BCHE P06276 2/20 0.41
HTR6 P50406 2/20 0.41
ABL1 P00519 2/20 0.41
ABL2 P42684 2/20 0.41
BTK Q06187 1/20 0.40
FPR2 P25090 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
UCHL1 P09936 2/20 0.39
USP30 Q70CQ3 2/20 0.39
HPGDS O60760 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL5596618 0.92 BRD4 (0.42) SCN9ABCHEHTR6FPR2UCHL1
SCHEMBL5596748 0.90 HTR6 (0.41) SCN9ABCHEHTR6BTKFPR2
SCHEMBL5596364 0.89 TNF (0.40) SCN9ASRCEGFRPIK3CABCHE
SCHEMBL5596791 0.88 HPGDS (0.40) SCN9ABCHEHTR6FPR2USP30
SCHEMBL5596881 0.88 FPR2 (0.42) SCN9ABCHEHTR6FPR2USP30
SCHEMBL5596624 0.87 FGFR4 (0.41) SCN9ABCHEHTR6FPR2USP30
SCHEMBL5596880 0.85 USP30 (0.43) SCN9ABCHEHTR6FPR2USP30
SCHEMBL5596756 0.84 HTR6 (0.40) SCN9ASRCEGFRBCHEHTR6
SCHEMBL5596780 0.84 TNF (0.43) SCN9ASRCEGFRPIK3R1PIK3CA
SCHEMBL5596980 0.83 USP30 (0.42) SCN9APIK3R1PIK3CABCHEHTR6

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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A SCN9A 1303/4885SRC 1689/4885EGFR 3052/4885

“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.