SCHEMBL21843752

SCHEMBL21843752

CC(C)NC(C)(C)C(=O)N1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DPP4 P27487 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
LIPE Q05469 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13808533 0.82 L3MBTL3 (0.44) MEN1KMT2ASIGMAR1
SCHEMBL13808532 0.79 HTR1A (0.43) ALDH1A1HTTLMNATDP1
SCHEMBL25724170 0.77 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL5514914 0.77 HRH3 (0.40) DPP4HSP90AA1HSP90AB1LIPEHRH3
SCHEMBL9963903 0.75 HSP90AA1 (0.41) DPP4HSP90AA1HSP90AB1ALDH1A1MEN1
SCHEMBL29317765 0.72 DPP4 (0.39) DPP4HSP90AA1HSP90AB1LIPEHRH3
SCHEMBL2745757 0.72 DPP4 (0.43) DPP4HSP90AA1HSP90AB1LIPEHTT
SCHEMBL12452605 0.72 HSP90AA1 (0.40) DPP4HSP90AA1HSP90AB1LIPEHTT
SCHEMBL2241005 0.71 SMN1; SMN2 (0.56) DPP4LIPEALDH1A1MEN1KMT2A
SCHEMBL21791920 0.70 DPP4 (0.36) CNR1CNR2DPP4HSP90AA1HSP90AB1

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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 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 (3 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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP CNR1 3133/4885CNR2 4146/4885DPP4 3936/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP CNR1 3133/4885CNR2 4146/4885DPP4 3936/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP CNR1 3133/4885CNR2 4146/4885DPP4 3936/4885

“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.