SCHEMBL21145998

SCHEMBL21145998

CC(C)N1C2COCC1CN(C(=O)N1CCS(=O)(=O)CC1)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.34
KCNH2 Q12809 3/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.33
CNR2 P34972 2/20 0.32
F2R P25116 2/20 0.32
CNR1 P21554 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
MAPT P10636 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
SCHEMBL23583248 0.77 HRH3 (0.41) HRH3KCNH2CYP2D6MAPT
SCHEMBL21145990 0.71 CHRNB2 (0.42) CYP2D6
SCHEMBL23583246 0.71 HRH3 (0.41) HRH3KCNH2CYP2D6
SCHEMBL21846687 0.70 ALDH1A1 (0.43) HRH3KCNH2CYP2D6
SCHEMBL27607371 0.70 ALDH1A1 (0.46) RAB9ACNR2F2R
SCHEMBL26140596 0.69 HRH3 (0.53) HRH3KCNH2CYP2D6
SCHEMBL18704929 0.69 HRH3 (0.53) HRH3KCNH2CYP2D6MAPT
SCHEMBL25143517 0.69
SCHEMBL16252586 0.68 F2R (0.39) HRH3RAB9ACYP2D6CNR2F2R
SCHEMBL21146017 0.68 USP2 (0.45) HRH3RAB9AMAPT

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 HRH3 4079/4885KCNH2 4785/4885RAB9A 1300/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP HRH3 4079/4885KCNH2 4785/4885RAB9A 1300/4885

“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.