SCHEMBL21608003

SCHEMBL21608003

COc1cc(C[C@H]2CCN(C(C)c3cccc(OC)n3)C2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
OGA O60502 2/20 0.34
HTR1A P08908 2/20 0.33
EED O75530 1/20 0.33
SLC6A4 P31645 1/20 0.33
MGLL Q99685 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CHRM4 P08173 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL21608004 1.00 LOX (0.37) LOXLOXL2OGAHTR1AEED
SCHEMBL21608534 0.94 KCNA5 (0.33) LOXLOXL2OGAHTR1AEED
SCHEMBL21608085 0.94 ATR (0.34) LOXLOXL2OGAHTR1AEED
SCHEMBL21608081 0.94 ATR (0.34) LOXLOXL2OGAHTR1AEED
SCHEMBL21608533 0.94 KCNA5 (0.33) LOXLOXL2OGAHTR1AEED
SCHEMBL21608183 0.89 MGLL (0.35) LOXLOXL2OGAMGLLCHRM4
SCHEMBL21608177 0.89 MGLL (0.35) LOXLOXL2OGAMGLLCHRM4
SCHEMBL21608201 0.86 KDM4E (0.34) OGAHTR1AEEDSLC6A4KDM4E
SCHEMBL21608202 0.86 KDM4E (0.34) OGAHTR1AEEDSLC6A4KDM4E
SCHEMBL21608568 0.84 TRPV6 (0.37) OGA

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-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
WO-2019243531-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 (1 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-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN LOX 512/4885LOXL2 1639/4885OGA 1/4885

“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.