SCHEMBL21146017

SCHEMBL21146017

CC(C)N1C2COCC1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR1H2 P55055 1/20 0.43
RECQL P46063 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 1/20 0.35
USP30 Q70CQ3 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL14706988 0.87 USP2 (0.50) USP2SMN1; SMN2NR1H2RECQLCHRM2
SCHEMBL1567999 0.86 NR1H2 (0.46) USP2SMN1; SMN2NR1H2RECQLHRH3
SCHEMBL5243293 0.84 CHRM2 (0.51) USP2SMN1; SMN2NR1H2RECQLCHRM2
SCHEMBL21145990 0.83 CHRNB2 (0.42) ALDH1A1
SCHEMBL19413505 0.81 USP2 (0.47) USP2SMN1; SMN2NR1H2RECQLCHRM2
SCHEMBL5243300 0.81 USP2 (0.47) USP2SMN1; SMN2NR1H2RECQLCHRM2
SCHEMBL30970603 0.80 NR1H2 (0.48) USP2SMN1; SMN2NR1H2RECQLCHRM2
SCHEMBL31049077 0.79 USP2 (0.45) USP2SMN1; SMN2NR1H2RECQLCHRM2
SCHEMBL30915773 0.79 NR1H2 (0.60) USP2SMN1; SMN2NR1H2RECQLCHRM2
SCHEMBL17926099 0.79 NR1H2 (0.60) USP2SMN1; SMN2NR1H2RECQLCHRM2

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 USP2 891/4885SMN1; SMN2 3117/4885NR1H2 35/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP USP2 891/4885SMN1; SMN2 3117/4885NR1H2 35/4885

“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.