SCHEMBL23514873

SCHEMBL23514873

CC(C)C1(O)CCN(CC(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL15448653 0.82 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL23790579 0.81 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL8292668 0.78 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL23514832 0.78 OPRM1 (0.39) OPRM1OPRD1OPRK1
SCHEMBL26811800 0.77 OPRM1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL26812478 0.76 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL14388356 0.75 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1
SCHEMBL27405690 0.75 OPRM1 (0.31) OPRM1OPRD1OPRK1
SCHEMBL23514936 0.74 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL26813254 0.73 OPRM1 (0.32) OPRM1OPRD1OPRK1

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-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
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-06-17 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 (3 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-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS ATR, MRE11, PARP2 OPRM1 4750/4885OPRD1 4387/4885OPRK1 4470/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 OPRM1 4438/4885OPRD1 3974/4885OPRK1 3428/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 OPRM1 4752/4885OPRD1 4632/4885OPRK1 3744/4885

“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.