SCHEMBL21844002

SCHEMBL21844002

CC(C)NC1(C)CCN(c2nccs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.41
OGA O60502 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 2/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
HTT P42858 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 1/20 0.36
SLC6A7 Q99884 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 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
SCHEMBL25090990 0.80 NPC1 (0.37) NPC1RAB9AHPGDOGAHRH3
SCHEMBL21916653 0.79 NPC1 (0.43) NPC1RAB9AHPGDOGAHRH3
SCHEMBL21843786 0.75 LMNA (0.48) HPGDMEN1HSD17B10KMT2AALDH1A1
SCHEMBL15058848 0.73
SCHEMBL160290 0.73 NPC1 (0.53) NPC1RAB9AHPGDOGAHRH3
SCHEMBL29102030 0.73
SCHEMBL21916652 0.72 HPGD (0.54) NPC1RAB9AHPGDOGAHRH3
SCHEMBL233663 0.71 NPC1 (0.51) NPC1RAB9AHPGDOGAHRH3
SCHEMBL13711959 0.71 NPC1 (0.51) NPC1RAB9AHPGDOGAHRH3
Bromide SCHEMBL6317924 0.71 NPC1 (0.51) NPC1RAB9AHPGDOGAHRH3

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 NPC1 117/4885RAB9A 1300/4885HPGD 2439/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885HPGD 2439/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885HPGD 2439/4885

“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.