SCHEMBL21604662

SCHEMBL21604662

Cc1cc(C[C@H]2CCCNC2)cc(OC(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.44
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KCNH2 Q12809 3/20 0.38
ACP1 P24666 1/20 0.36
CHEK1 O14757 2/20 0.34
CTSS P25774 1/20 0.33
BRD4 O60885 3/20 0.33
ATAD2 Q6PL18 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
SYK P43405 2/20 0.32
AURKB Q96GD4 2/20 0.32
P2RX7 Q99572 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL21604667 1.00 EED (0.44) EEDHRH4HRH3KCNH2ACP1
SCHEMBL21604573 0.85 EED (0.54) EEDHRH4HRH3KCNH2ACP1
SCHEMBL21604575 0.85 EED (0.54) EEDHRH4HRH3KCNH2ACP1
SCHEMBL20281478 0.83 EED (0.52) EEDHRH4HRH3KCNH2BRD4
SCHEMBL21359121 0.83 EED (0.52) EEDHRH4HRH3KCNH2BRD4
SCHEMBL21604650 0.81 EED (0.44) EEDHRH4HRH3KCNH2CHEK1
SCHEMBL21604661 0.81 EED (0.44) EEDHRH4HRH3KCNH2CHEK1
SCHEMBL21603160 0.77 EED (0.44) EEDHRH4HRH3
SCHEMBL21603154 0.77 EED (0.44) EEDHRH4HRH3
SCHEMBL20281657 0.77 EED (0.44) EEDHRH4HRH3

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-2019243526-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 (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 EED 4588/4885HRH4 4152/4885HRH3 3480/4885
US-20210115040-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.