SCHEMBL22265381

SCHEMBL22265381

COCN(C(=O)C1(C(=O)OC)CC1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
EGFR P00533 1/20 0.33
CHRM5 P08912 1/20 0.33
TRPA1 O75762 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL22265281 0.88 HSD11B1 (0.36) ALDH1A1OPRM1CHRM1CHRM3CHRM5
SCHEMBL18542859 0.80 NOTUM (0.37) ALDH1A1OPRM1OPRK1PSEN1PSEN2
SCHEMBL374161 0.71 ALDH1A1 (0.45) ALDH1A1OPRM1NPSR1HSD17B10
SCHEMBL28749828 0.69 OPRM1 (0.38) ALDH1A1OPRM1CHRM1CHRM3CHRM5
SCHEMBL105727 0.68 EGFR (0.52) ALDH1A1CHRM1EGFRCHRM2
SCHEMBL22452882 0.66 MEN1 (0.39) ALDH1A1OPRM1NPSR1POLB
SCHEMBL18542893 0.66 MEN1 (0.36) ALDH1A1OPRM1
SCHEMBL22265647 0.65 GAA (0.39) ALDH1A1TRPA1POLB
SCHEMBL20601546 0.63 OPRM1 (0.52) ALDH1A1OPRM1OPRK1HSD11B1NPSR1
SCHEMBL24680602 0.63 NPSR1 (0.42) ALDH1A1NPSR1POLB

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
US-20220089541-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2022-03-24 US disclosed
EP-3914356-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2021-12-01 EP disclosed
WO-2020154610-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2020-07-30 WO disclosed
WO-2020154610-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2020-07-30 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-20220089541-A1 Compounds for the Treatment of Kinase-Dependent Disorders PRKDC, MAP3K20, BRAF ALDH1A1 3309/4885OPRM1 4289/4885OPRK1 2628/4885

“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.