SCHEMBL22508562

SCHEMBL22508562

CC(C)(C)C(=O)C1CC(C(C)(C)C)CN1C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL19487456 0.86
SCHEMBL13164524 0.86
SCHEMBL1708841 0.83 ATM (0.35) CYP2D6KCNH2HRH3
SCHEMBL13963737 0.79 ATM (0.39)
SCHEMBL14436530 0.79 ATM (0.39)
SCHEMBL24345577 0.79 ATM (0.39)
SCHEMBL7744767 0.79 GAA (0.32)
SCHEMBL7892261 0.79 ATM (0.39)
SCHEMBL20329583 0.79 GAA (0.32)
SCHEMBL19483347 0.79 GAA (0.32)

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-20230008495-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIV PARIS (FR) 2023-01-12 US disclosed
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 Universite De Paris (FR) 2022-08-09 US disclosed
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIVERSITÉ PARIS CITÉ (FR) 2020-10-08 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-20230008495-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 CYP2D6 1329/4885KCNH2 2192/4885HRH3 3007/4885
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 CYP2D6 1329/4885KCNH2 2192/4885HRH3 3007/4885
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 CASP2, CASP1, CASP3 CYP2D6 1024/4885KCNH2 2228/4885HRH3 3082/4885

“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.