SCHEMBL30824967

SCHEMBL30824967

C=Cc1cn(COCC[Si](C)(C)C)c(C(=O)OCC)n1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
KLKB1 P03952 1/20 0.35
CYP1A2 P05177 1/20 0.31
F2RL1 P55085 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
TARBP2 Q15633 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL25911876 0.89 DGAT1 (0.37) DGAT1KLKB1CYP1A2PDE10AGABRA2
SCHEMBL2822544 0.84 DGAT1 (0.39) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL1856217 0.82 DGAT1 (0.44) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL30684567 0.82 DGAT1 (0.39) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL1858664 0.82 DGAT1 (0.42) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL13733884 0.81 DGAT1 (0.43) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL18839145 0.80 DGAT1 (0.37) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL1857062 0.79 DGAT1 (0.38) DGAT1KLKB1GABRA2GABRB2GAA
SCHEMBL12381794 0.79 DGAT1 (0.37) DGAT1KLKB1CYP1A2GABRA2GABRB2
SCHEMBL30824981 0.76 DGAT1 (0.45) DGAT1KLKB1

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-20250099478-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-27 US disclosed
CN-118613483-A Plasma kallikrein inhibitors 默沙东有限责任公司 2024-09-06 CN disclosed
WO-2023146809-A9 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-14 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-20250099478-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 DGAT1 1479/4885KLKB1 1/4885CYP1A2 2669/4885

“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.