SCHEMBL21916705

SCHEMBL21916705

CCN[C@H](C(=O)NCC(C)(C)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.33
CNR1 P21554 6/20 0.33
CNR2 P34972 6/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
PIK3CD O00329 1/20 0.32
TRPA1 O75762 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CTSK P43235 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
SCHEMBL21844018 0.81 FPR2 (0.34) FPR2CNR1CNR2PPARGPPARD
SCHEMBL25091466 0.78 USP2 (0.45) CNR1CTSK
SCHEMBL21844027 0.78 FPR2 (0.35) FPR2CNR1CNR2PPARGPPARD
SCHEMBL24946124 0.78 FPR2 (0.35) FPR2CNR1CNR2PPARGPPARD
SCHEMBL21917412 0.76 MMP3 (0.44)
SCHEMBL24946125 0.75 FPR2 (0.34) FPR2PPARGPPARDPPARAPIK3CD
SCHEMBL12937421 0.71 CA2 (0.34)
SCHEMBL20857572 0.71 LMNA (0.33)
SCHEMBL10311712 0.71 PIK3CD (0.42) FPR2CNR1CNR2PPARGPPARD
SCHEMBL28209002 0.71 CA2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 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 (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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP FPR2 4413/4885CNR1 3133/4885CNR2 4146/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP FPR2 4413/4885CNR1 3133/4885CNR2 4146/4885

“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.