SCHEMBL21146201

SCHEMBL21146201

CC(C)N1CC(O)CCC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
SHBG P04278 1/20 0.32
DPP4 P27487 2/20 0.32
HRH3 Q9Y5N1 3/20 0.31
KCNH2 Q12809 2/20 0.31
CYP2D6 P10635 1/20 0.31
CHRNA7 P36544 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
SCHEMBL414427 0.88
SCHEMBL21146440 0.87 DPP4 (0.30) DPP4
SCHEMBL2737401 0.84
SCHEMBL438971 0.84
SCHEMBL105168 0.84
SCHEMBL12718354 0.83 PIK3CD (0.38) LMNACYP2C9DPP4CHRNA7
SCHEMBL18848927 0.83 PIK3CD (0.38) LMNACYP2C9DPP4CHRNA7
SCHEMBL18842698 0.83 PIK3CD (0.38) LMNACYP2C9DPP4CHRNA7
SCHEMBL18842699 0.83 PIK3CD (0.38) LMNACYP2C9DPP4CHRNA7
SCHEMBL2603284 0.80 CA12 (0.39) DPP4HRH3

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 LMNA 2483/4885CYP2C9 4012/4885SHBG 3990/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP LMNA 2483/4885CYP2C9 4012/4885SHBG 3990/4885

“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.