SCHEMBL23213554

SCHEMBL23213554

O=C(O)Cn1ccc(C2CCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GCK P35557 1/20 0.36
NTRK1 P04629 4/20 0.35
KCNH2 Q12809 3/20 0.35
NTRK2 Q16620 3/20 0.35
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 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
SCHEMBL12984289 0.93 NPC1 (0.50) NPC1RAB9ASMN1; SMN2EPHX2KDM4C
SCHEMBL8007356 0.86 NPC1 (0.41) NPC1RAB9ASMN1; SMN2EPHX2KDM4C
SCHEMBL30071467 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23213584 0.82 POLB (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24088602 0.80 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29488003 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2EPHX2ALDH1A1
SCHEMBL10479616 0.78 PTGIR (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8024321 0.77 GPR119 (0.46) SMN1; SMN2ALDH1A1L3MBTL1HTTMGLL
SCHEMBL17051159 0.76 NPC1 (0.53) NPC1RAB9ASMN1; SMN2EPHX2ALDH1A1
SCHEMBL10887936 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2024-11-14 US disclosed
EP-3870576-B1 BEZOPYRAZOLE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-01-24 EP disclosed
EP-4041729-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-27 EP disclosed
US-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-11-24 US disclosed
EP-4041729-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-17 EP disclosed
US-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
US-20210379071-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-09 US disclosed
US-20210379071-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-09 US disclosed
EP-3876942-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-09-15 EP disclosed
WO-2021070054-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-15 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 (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-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H NPC1 376/4885RAB9A 1878/4885SMN1; SMN2 2727/4885
US-20240374598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H NPC1 376/4885RAB9A 1878/4885SMN1; SMN2 2727/4885
US-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, REV1, POLR2E NPC1 200/4885RAB9A 1488/4885SMN1; SMN2 2939/4885
US-20210379071-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H NPC1 376/4885RAB9A 1878/4885SMN1; SMN2 2727/4885

“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.