SCHEMBL23906152

SCHEMBL23906152

CC[C@@H]1CC(=O)c2ccc(OCc3ccnc(C)c3)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.46
GRM5 P41594 5/20 0.46
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL30251088 1.00 MAOB (0.46) MAOBGRM5MAOANPC1ALDH1A1
SCHEMBL23882766 1.00 MAOB (0.46) MAOBGRM5MAOANPC1ALDH1A1
SCHEMBL32675570 1.00 MAOB (0.46) MAOBGRM5MAOANPC1ALDH1A1
SCHEMBL23906322 1.00 MAOB (0.46) MAOBGRM5MAOANPC1ALDH1A1
SCHEMBL23906288 0.88 BRD4 (0.53) MAOBGRM5MAOANPC1ALDH1A1
SCHEMBL23906154 0.80 MAOB (0.71) MAOBGRM5MAOANPC1ALDH1A1
SCHEMBL11377697 0.76 CYP19A1 (0.63) MAOBCYP19A1
SCHEMBL23906006 0.76 CYP19A1 (0.43) MAOBCYP19A1
SCHEMBL23905963 0.76 CYP19A1 (0.43) MAOBCYP19A1
SCHEMBL23882769 0.76 CYP19A1 (0.43) MAOBCYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 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-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C MAOB 1451/4885GRM5 2303/4885MAOA 1864/4885

“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.