SCHEMBL21603172

SCHEMBL21603172

Cc1cc(C[C@@H]2CCNC2)cc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
HRH4 Q9H3N8 5/20 0.49
EED O75530 1/20 0.41
GBA1 P04062 1/20 0.41
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM1A O60341 1/20 0.38
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CHKA P35790 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL21358938 1.00 HRH3 (0.49) HRH3HRH4EEDGBA1SLC6A2
SCHEMBL20281500 1.00 HRH3 (0.49) HRH3HRH4EEDGBA1SLC6A2
SCHEMBL21359121 0.90 EED (0.52) HRH3HRH4EEDBRD4ATAD2
SCHEMBL20281478 0.90 EED (0.52) HRH3HRH4EEDBRD4ATAD2
SCHEMBL21607006 0.89 GBA1 (0.52) HRH3HRH4GBA1SLC6A4KCNH2
SCHEMBL20281932 0.89 HRH4 (0.43) HRH3HRH4EEDGBA1SLC6A2
SCHEMBL20281523 0.88 HRH4 (0.42) HRH3HRH4EEDGBA1SLC6A2
SCHEMBL21603154 0.87 EED (0.44) HRH3HRH4EEDGBA1SLC6A2
SCHEMBL20281657 0.87 EED (0.44) HRH3HRH4EEDGBA1SLC6A2
SCHEMBL21603160 0.87 EED (0.44) HRH3HRH4EEDGBA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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 (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-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HRH3 3480/4885HRH4 4152/4885EED 4588/4885
US-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HRH3 3480/4885HRH4 4152/4885EED 4588/4885
US-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HRH3 3480/4885HRH4 4152/4885EED 4588/4885

“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.