SCHEMBL21146005

SCHEMBL21146005

CC(C)N1CCc2nc(NS(C)(=O)=O)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.43
OGA O60502 1/20 0.41
CHKA P35790 1/20 0.40
GRM5 P41594 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 7/20 0.35
F10 P00742 3/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 2/20 0.35
GAA P10253 4/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL26813502 0.82 ALDH1A1 (0.47) GCKOGAGRM5NPC1RAB9A
SCHEMBL21146020 0.78 OGA (0.61) GCKOGACHKANPC1RAB9A
SCHEMBL23475124 0.78 GAA (0.56) GCKGRM5NPC1RAB9AALDH1A1
SCHEMBL16766276 0.77 GRM5 (0.44) GRM5NPC1RAB9AALDH1A1POLB
SCHEMBL742822 0.73 MEN1 (0.40) GCKOGACHKAGRM5ALDH1A1
SCHEMBL13494250 0.73 PDE10A (0.42) OGACHKAGRM5ALDH1A1F10
SCHEMBL17934004 0.72 RAD52 (0.58) OGACHKAALDH1A1F10POLB
SCHEMBL798469 0.72 KDM4E (0.42) OGACHKAGRM5ALDH1A1F10
SCHEMBL19454154 0.72 KDM4E (0.39) OGACHKAGRM5ALDH1A1F10
SCHEMBL9963387 0.71 KDM4E (0.37) GCKOGACHKAGRM5NPC1

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-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 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 (1 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-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP GCK 4233/4885OGA 3068/4885CHKA 271/4885

“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.