SCHEMBL21608552

SCHEMBL21608552

COc1ccc(C[C@H]2CCN([C@@H](C)c3cccc(OC)n3)C2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.37
OGA O60502 2/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33

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
SCHEMBL21608569 1.00 TRPV6 (0.37) TRPV6OGACHRNB2CHRNA4CHRNB4
SCHEMBL21608568 1.00 TRPV6 (0.37) TRPV6OGACHRNB2CHRNA4CHRNB4
SCHEMBL21608560 1.00 TRPV6 (0.37) TRPV6OGACHRNB2CHRNA4CHRNB4
SCHEMBL23868330 0.91 PTGDR2 (0.32) OGACYP2D6DRD2HTR2CSSTR1
SCHEMBL23868331 0.91 PTGDR2 (0.32) OGACYP2D6DRD2HTR2CSSTR1
SCHEMBL23868333 0.91 PTGDR2 (0.32) OGACYP2D6DRD2HTR2CSSTR1
SCHEMBL21608034 0.88 KCNK3 (0.37)
SCHEMBL21608031 0.88 KCNK3 (0.37)
SCHEMBL21608003 0.84 LOX (0.37) OGA
SCHEMBL21608004 0.84 LOX (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 TRPV6 4178/4885OGA 1/4885CHRNB2 1838/4885

“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.