SCHEMBL23918996

SCHEMBL23918996

C[C@H]1CN(CCC(C)(C)C)CCN1CCOC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL21673765 1.00 KCNJ1 (0.34) KCNJ1KCNH2SIGMAR1
SCHEMBL21673755 0.94 KCNH2 (0.34) KCNJ1KCNH2
SCHEMBL21421602 0.94 KCNH2 (0.34) KCNJ1KCNH2
SCHEMBL21673766 0.86 KCNJ1 (0.35) KCNJ1KCNH2SIGMAR1
SCHEMBL26972347 0.84 GBA2 (0.33) KCNJ1KCNH2
SCHEMBL25134153 0.82 SIGMAR1 (0.38) KCNJ1KCNH2SIGMAR1
SCHEMBL25133365 0.82 SIGMAR1 (0.38) KCNJ1KCNH2SIGMAR1
SCHEMBL21421600 0.81
SCHEMBL23919018 0.81 SIGMAR1 (0.37) KCNJ1KCNH2SIGMAR1
SCHEMBL21421607 0.81 GBA1 (0.33) KCNJ1KCNH2SIGMAR1

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-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2021-10-14 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 (2 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-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 KCNJ1 4286/4885KCNH2 4503/4885SIGMAR1 3941/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN KCNJ1 4742/4885KCNH2 4712/4885SIGMAR1 3038/4885

“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.