SCHEMBL21608548

SCHEMBL21608548

COc1cccc(C[C@H]2CCN(C(C)c3cccc(OC)n3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
OGA O60502 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CHRM4 P08173 1/20 0.34
DGKZ Q13574 1/20 0.34
CETP P11597 1/20 0.33
KCNH2 Q12809 1/20 0.33
GHSR Q92847 1/20 0.33
IDH1 O75874 1/20 0.33
ACACB O00763 1/20 0.32
ALOX5 P09917 1/20 0.31
HRH1 P35367 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL21608146 0.90 PHGDH (0.38) HRH3CHRM4CETPIDH1ACACB
SCHEMBL21608030 0.86 DRD4 (0.35) HRH3DGKZGHSRACACB
SCHEMBL21608028 0.86 DRD4 (0.35) HRH3DGKZGHSRACACB
SCHEMBL21608097 0.85 MAP4K4 (0.33) OGAHRH3KCNH2GHSRIDH1
SCHEMBL21608099 0.85 MAP4K4 (0.33) OGAHRH3KCNH2GHSRIDH1
SCHEMBL21608092 0.85 MAP4K4 (0.33) OGAHRH3KCNH2GHSRIDH1
SCHEMBL21608093 0.85 MAP4K4 (0.33) OGAHRH3KCNH2GHSRIDH1
SCHEMBL21608568 0.84 TRPV6 (0.37) KDM1AMAOAMAOBOGAKCNH2
SCHEMBL21608560 0.84 TRPV6 (0.37) KDM1AMAOAMAOBOGAKCNH2
SCHEMBL21608552 0.84 TRPV6 (0.37) KDM1AMAOAMAOBOGAKCNH2

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 KDM1A 1144/4885MAOA 197/4885MAOB 538/4885

“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.