SCHEMBL21608074

SCHEMBL21608074

COc1cccc(C(C)N2CCC[C@H](Cc3cc(OC)nc(C(F)(F)F)c3)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 14/20 0.39
LOX P28300 5/20 0.35
KCNH2 Q12809 1/20 0.34
GHSR Q92847 1/20 0.34
EED O75530 1/20 0.34
MGLL Q99685 1/20 0.33
KHK P50053 1/20 0.32
CETP P11597 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
SCHEMBL21608061 0.94 MGLL (0.36) LOXL2LOXMGLLKHKCETP
SCHEMBL21608064 0.94 MGLL (0.36) LOXL2LOXMGLLKHKCETP
SCHEMBL21607991 0.87 MGLL (0.33) LOXL2MGLLCETP
SCHEMBL21607983 0.87 MGLL (0.33) LOXL2MGLLCETP
SCHEMBL21607943 0.85 KCNH2 (0.39) KCNH2GHSREED
SCHEMBL21607953 0.85 KCNH2 (0.39) KCNH2GHSREED
SCHEMBL23868379 0.85 LOXL2 (0.37) LOXL2LOXKCNH2GHSREED
SCHEMBL21608183 0.84 MGLL (0.35) LOXL2LOXMGLLCETP
SCHEMBL21608177 0.84 MGLL (0.35) LOXL2LOXMGLLCETP
SCHEMBL21608201 0.81 KDM4E (0.34) KCNH2GHSREED

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 LOXL2 1639/4885LOX 512/4885KCNH2 4103/4885

“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.