SCHEMBL22926468

SCHEMBL22926468

C[C@]1(O)CC[C@@H](C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36

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
SCHEMBL23253974 1.00 ESR2 (0.36) ESR2
SCHEMBL12551024 0.79 CYP11B2 (0.33)
SCHEMBL26911875 0.75 ESR2 (0.36) ESR2
SCHEMBL26911819 0.75 ESR2 (0.36) ESR2
SCHEMBL19451435 0.75 ESR2 (0.36) ESR2
SCHEMBL13232136 0.75
SCHEMBL22279615 0.75
SCHEMBL27408076 0.75 OPRM1 (0.30)
SCHEMBL23514943 0.75 OPRM1 (0.30)
SCHEMBL17621627 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023193114-A1 METHODS OF USING ATR INHIBITORS REPARE THERAPEUTICS INC. (CA) 2023-10-12 WO disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 US disclosed
WO-2021012049-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-01-28 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 (2 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-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 ESR2 4134/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 ESR2 3912/4885

“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.