SCHEMBL21916652

SCHEMBL21916652

CC(C)NC1CCN(c2nccs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD2 P14416 1/20 0.43
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
HPGDS O60760 1/20 0.42
OGA O60502 1/20 0.41
CYP3A4 P08684 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 1/20 0.40
HRH4 Q9H3N8 3/20 0.39
SLC6A7 Q99884 1/20 0.39
CHI3L1 P36222 1/20 0.38

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
SCHEMBL4699308 0.84 HPGD (0.56) HPGDHRH3HTTHSD17B10NPC1
SCHEMBL12988889 0.80 HRH3 (0.51) HPGDHRH3HTTHSD17B10NPC1
SCHEMBL3060177 0.77 HPGD (0.51) HPGDHRH3HTTHSD17B10NPC1
SCHEMBL25090986 0.76 HPGD (0.51) HPGDHRH3HTTHSD17B10NPC1
SCHEMBL21916655 0.74 LMNA (0.53) HSD17B10ALDH1A1MEN1
SCHEMBL15058848 0.74
SCHEMBL160290 0.74 NPC1 (0.53) HPGDHRH3HTTHSD17B10NPC1
SCHEMBL29102030 0.74
SCHEMBL12988231 0.74 HRH3 (0.46) HPGDHRH3HTTHSD17B10NPC1
SCHEMBL20243707 0.74 HPGD (0.51) HPGDHRH3HTTHSD17B10NPC1

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 HPGD 2439/4885HRH3 4079/4885HTT 2894/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP HPGD 2439/4885HRH3 4079/4885HTT 2894/4885

“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.