SCHEMBL29778294

SCHEMBL29778294

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
OPRK1 P41145 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C19 P33261 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL21553802 1.00 PARP1 (0.59) PARP1OPRK1PDK1PDK2PDK3
SCHEMBL20479503 0.90 PARP1 (0.46) PARP1NR1H2NR1H3ABHD6DAGLA
SCHEMBL20479505 0.90 PARP1 (0.46) PARP1NR1H2NR1H3ABHD6DAGLA
SCHEMBL17068112 0.90 PARP1 (0.46) PARP1NR1H2NR1H3ABHD6DAGLA
SCHEMBL31376657 0.89 PARP1 (0.56) PARP1OPRK1PDK1PDK2PDK3
SCHEMBL28688165 0.88 PARP1 (0.45) PARP1NR1H2NR1H3SMN1; SMN2ABHD6
SCHEMBL2420439 0.85 PARP1 (0.63) PARP1OPRK1PDK1PDK2PDK3
SCHEMBL30440068 0.85 PARP1 (0.63) PARP1OPRK1PDK1PDK2PDK3
SCHEMBL20129602 0.85 PARP1 (0.63) PARP1OPRK1PDK1PDK2PDK3
SCHEMBL6334954 0.85 PARP1 (0.63) PARP1OPRK1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140958-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF TABOMEDEX BIOSCIENCES INC (US) 2024-05-02 US disclosed
EP-4274833-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2023-11-15 EP disclosed
WO-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 WO 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-20240140958-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 PARP1 1309/4885OPRK1 1377/4885PDK1 780/4885

“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.