SCHEMBL21145786

SCHEMBL21145786

CC(C)N1CC[C@@H](O)[C@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
GBA1 P04062 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NGLY1 Q96IV0 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
GANAB Q14697 1/20 0.35
HRH3 Q9Y5N1 4/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNA7 P36544 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21146123 1.00 GAA (0.35) GAAGBA1MEN1CYP1A2CYP2C9
SCHEMBL21145787 1.00 GAA (0.35) GAAGBA1MEN1CYP1A2CYP2C9
SCHEMBL12349918 1.00 GAA (0.35) GAAGBA1MEN1CYP1A2CYP2C9
SCHEMBL24733229 0.87 CHRNA7 (0.39) GBA1HRH3CYP2D6KCNH2CHRNA7
SCHEMBL24734655 0.87 CHRNA7 (0.39) GBA1HRH3CYP2D6KCNH2CHRNA7
SCHEMBL24733191 0.87 CHRNA7 (0.39) GBA1HRH3CYP2D6KCNH2CHRNA7
SCHEMBL24789555 0.87 CHRNA7 (0.39) GBA1HRH3CYP2D6KCNH2CHRNA7
SCHEMBL24734679 0.86 MAN2B1 (0.36) HRH3CYP2D6KCNH2
SCHEMBL24789557 0.86 MAN2B1 (0.36) HRH3CYP2D6KCNH2
SCHEMBL24734677 0.86 MAN2B1 (0.36) HRH3CYP2D6KCNH2

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-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 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 (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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP GAA 1088/4885GBA1 777/4885MEN1 4740/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP GAA 1088/4885GBA1 777/4885MEN1 4740/4885

“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.