SCHEMBL24204166

SCHEMBL24204166

O=C1CCC2(CC1)OCc1cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.44
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
SRD5A1 P18405 3/20 0.36
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.34
HSD11B1 P28845 1/20 0.34
NR3C2 P08235 1/20 0.34
OXTR P30559 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL30574141 0.82 AVPR1A (0.41) AVPR1APSEN1PSEN2APH1BNCSTN
SCHEMBL24203780 0.81 AVPR1A (0.44) AVPR1APSEN1PSEN2APH1BNCSTN
SCHEMBL24203649 0.81 TDP2 (0.41) AVPR1APARP1PARP10HSD11B1
SCHEMBL3400246 0.79 AVPR1A (0.42) AVPR1AOXTR
SCHEMBL737193 0.79 DPP4 (0.42) AVPR1APARP1PARP10NR3C2OXTR
SCHEMBL30574142 0.78 AVPR1A (0.39) AVPR1AKMT2AOXTR
SCHEMBL11827622 0.78 AVPR1A (0.46) AVPR1A
SCHEMBL30407649 0.77 AVPR1A (0.51) AVPR1A
SCHEMBL631425 0.77 AVPR1A (0.51) AVPR1A
SCHEMBL29079064 0.77 AVPR1A (0.39) AVPR1APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed
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
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US 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 AVPR1A 1257/4885PSEN1 2880/4885PSEN2 3573/4885

“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.