SCHEMBL24203981

SCHEMBL24203981

CC1OC2(CCC(=O)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SIGMAR1 Q99720 4/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ EBP Q15125 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL30376318 1.00 MEN1 (0.37) MEN1CYP2C9KMT2ASIGMAR1ADRA2A
SCHEMBL29190477 0.81 TMEM97 (0.41) SIGMAR1ADRA2A
SCHEMBL12622887 0.80 TMEM97 (0.40) CYP2C9SIGMAR1ADRA2AOPRM1OPRK1
SCHEMBL2360287 0.79 SIGMAR1 (0.52) SIGMAR1ADRA2AOPRM1OPRD1
SCHEMBL3406036 0.79 SIGMAR1 (0.37) SIGMAR1ADRA2AOPRM1OPRK1OPRD1
SCHEMBL736557 0.79 SIGMAR1 (0.52) SIGMAR1ADRA2AOPRM1OPRD1
SCHEMBL11334162 0.78 OPRD1 (0.49) MEN1CYP2C9KMT2ASIGMAR1OPRM1
SCHEMBL11334163 0.78 OPRD1 (0.49) MEN1CYP2C9KMT2ASIGMAR1OPRM1
SCHEMBL26011230 0.77 SIGMAR1 (0.42) SIGMAR1ADRA2A
SCHEMBL11864088 0.77 SIGMAR1 (0.54) SIGMAR1ADRA2AOPRM1OPRK1OPRD1

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-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 — — US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 — — US disclosed
CN-116261557-A Cyclic cyanoketene derivatives as KEAP1 modulators 默沙东有限责任公司 2023-06-13 — — CN disclosed
WO-2022013408-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME CORP. (US) 2022-01-20 — — 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-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 MEN1 3912/4885CYP2C9 1874/4885KMT2A 3071/4885

“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.

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