SCHEMBL21603154

SCHEMBL21603154

COc1cc(C[C@@H]2CCNC2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.44
HRH4 Q9H3N8 4/20 0.41
HRH3 Q9Y5N1 4/20 0.41
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A2 P23975 6/20 0.36
PDE2A O00408 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
DYRK3 O43781 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK4 Q9NR20 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL21603160 1.00 EED (0.44) EEDHRH4HRH3TLR9TLR8
SCHEMBL20281657 1.00 EED (0.44) EEDHRH4HRH3TLR9TLR8
SCHEMBL21604573 0.92 EED (0.54) EEDHRH4HRH3EHMT2
SCHEMBL21604575 0.92 EED (0.54) EEDHRH4HRH3EHMT2
SCHEMBL21358938 0.87 HRH3 (0.49) EEDHRH4HRH3TLR9TLR8
SCHEMBL21603172 0.87 HRH3 (0.49) EEDHRH4HRH3TLR9TLR8
SCHEMBL20281500 0.87 HRH3 (0.49) EEDHRH4HRH3TLR9TLR8
SCHEMBL20281662 0.86 HRH4 (0.40) EEDHRH4HRH3TLR7SLC6A4
SCHEMBL21607850 0.82 EED (0.41) EEDHRH4HRH3SLC6A4SLC6A2
SCHEMBL20281626 0.82 EED (0.41) EEDHRH4HRH3SLC6A4SLC6A2

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 5 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-2019243528-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

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 EED 4588/4885HRH4 4152/4885HRH3 3480/4885
US-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN EED 4588/4885HRH4 4152/4885HRH3 3480/4885
US-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN EED 4588/4885HRH4 4152/4885HRH3 3480/4885

“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.