SCHEMBL21673608

SCHEMBL21673608

COCCN1CCN(CCOC(C)C)[C@@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
GBA1 P04062 2/20 0.32
DRD3 P35462 2/20 0.32
DRD2 P14416 1/20 0.32
KDM1A O60341 1/20 0.32
MAP3K12 Q12852 2/20 0.32
HSD11B1 P28845 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL21673670 1.00 SIGMAR1 (0.39) SIGMAR1KCNJ1KCNH2GBA1DRD3
SCHEMBL23875168 1.00 SIGMAR1 (0.39) SIGMAR1KCNJ1KCNH2GBA1DRD3
SCHEMBL26972455 0.94 SIGMAR1 (0.43) SIGMAR1KCNJ1KCNH2DRD3DRD2
SCHEMBL25133361 0.94 SIGMAR1 (0.43) SIGMAR1KCNJ1KCNH2DRD3DRD2
SCHEMBL25608578 0.89 KCNJ1 (0.39) SIGMAR1KCNJ1KCNH2GBA1DRD3
SCHEMBL23205043 0.89 KCNJ1 (0.39) SIGMAR1KCNJ1KCNH2GBA1DRD3
SCHEMBL23205219 0.86 SIGMAR1 (0.37) SIGMAR1KCNJ1KCNH2KDM1APOLB
SCHEMBL23267012 0.86 SIGMAR1 (0.37) SIGMAR1KCNJ1KCNH2KDM1A
SCHEMBL23205217 0.86 SIGMAR1 (0.40) SIGMAR1KCNJ1KCNH2
SCHEMBL25133363 0.85 SIGMAR1 (0.35) SIGMAR1KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2020-02-06 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 (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-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL SIGMAR1 3355/4885KCNJ1 4833/4885KCNH2 4861/4885

“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.