SCHEMBL22927498

SCHEMBL22927498

CC[C@@H](C)n1ccc(C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.31
PPARA Q07869 1/20 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
SCHEMBL23195030 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22681562 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24804913 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19120962 0.82 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21323234 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27091416 0.79 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21471128 0.79 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23183044 0.79 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21471127 0.79 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20350237 0.79 NPC1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389007-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-12-08 US disclosed
US-20210024503-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-01-28 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-20220389007-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20210024503-A1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, CCNI, IRF3 NPC1 268/4885RAB9A 1308/4885SMN1; SMN2 3046/4885

“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.