SCHEMBL21604589

SCHEMBL21604589

COc1cc(OC[C@H]2CCCNC2)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.46
KDM1A O60341 2/20 0.44
IKBKB O14920 2/20 0.44
CHUK O15111 2/20 0.44
EED O75530 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 1/20 0.43
CHEK2 O96017 1/20 0.40
SYK P43405 3/20 0.39
AURKB Q96GD4 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
KCNH2 Q12809 3/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ACP1 P24666 1/20 0.37

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
SCHEMBL21604593 1.00 MAP2K1 (0.46) MAP2K1KDM1AIKBKBCHUKEED
SCHEMBL21603166 0.92 SLC6A2 (0.51) MAP2K1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL20281495 0.90 MAP2K1 (0.51) MAP2K1KDM1AIKBKBCHUKEED
SCHEMBL21604534 0.90 MAP2K1 (0.51) MAP2K1KDM1AIKBKBCHUKEED
SCHEMBL21604516 0.90 MAP2K1 (0.51) MAP2K1KDM1AIKBKBCHUKEED
SCHEMBL20281548 0.81 SLC6A2 (0.58) MAP2K1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL21603155 0.81 SLC6A2 (0.58) MAP2K1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL21604566 0.81 SLC6A2 (0.58) MAP2K1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL21604573 0.80 EED (0.54) IKBKBCHUKEEDKCNH2ACP1
SCHEMBL21604575 0.80 EED (0.54) IKBKBCHUKEEDKCNH2ACP1

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-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 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-2019243526-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 (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-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN MAP2K1 4656/4885KDM1A 1144/4885IKBKB 2508/4885
US-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN MAP2K1 4656/4885KDM1A 1144/4885IKBKB 2508/4885

“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.