SCHEMBL23940953

SCHEMBL23940953

CSCn1ccc(C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
NTRK1 P04629 5/20 0.31
KCNH2 Q12809 3/20 0.31
NTRK2 Q16620 3/20 0.31

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
SCHEMBL21166146 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23940711 0.76 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22060805 0.76 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16877119 0.76 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21471164 0.75 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10887936 0.73 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29488003 0.72 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14786291 0.71 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29277926 0.71 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17812066 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045509-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CABOTEGRAVIR VIIV HEALTHCARE COMPANY 2023-02-09 US disclosed
US-20230013823-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-01-19 US disclosed
US-20220089598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-03-24 US disclosed
US-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 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 (4 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-20230013823-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20220089598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20230045509-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CABOTEGRAVIR CCR5, SAMHD1, THPO NPC1 580/4885RAB9A 1796/4885SMN1; SMN2 3334/4885

“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.