SCHEMBL20907904

SCHEMBL20907904

COc1ccc(N2C[C@@H]3CC(C)(C)C2CC3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 1/20 0.37
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL22555738 1.00 HSD11B1 (0.41) HSD11B1GAAL3MBTL1POLBHTT
SCHEMBL22567520 0.86 LMNA (0.43) GAAL3MBTL1POLBHTTKMT2A
SCHEMBL20898249 0.86 LMNA (0.43) GAAL3MBTL1POLBHTTKMT2A
SCHEMBL22555792 0.86 LMNA (0.43) GAAL3MBTL1POLBHTTKMT2A
SCHEMBL22567345 0.86 LMNA (0.43) GAAL3MBTL1POLBHTTKMT2A
SCHEMBL22555775 0.83 HSD11B1 (0.36) HSD11B1GAAPOLBHTTKMT2A
SCHEMBL22567440 0.83 HSD11B1 (0.36) HSD11B1GAAPOLBHTTKMT2A
SCHEMBL22567593 0.83 ALDH1A1 (0.36) GAAL3MBTL1POLBMAPTALDH1A1
SCHEMBL22555808 0.83 ALDH1A1 (0.36) GAAL3MBTL1POLBMAPTALDH1A1
SCHEMBL22555747 0.81 GAA (0.40) HSD11B1GAAL3MBTL1POLBKMT2A

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-11325915-B2 Lysyl oxidase inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-05-10 US disclosed
US-20200331922-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-10-22 US disclosed
WO-2019073251-A1 LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-04-18 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 (2 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-20200331922-A1 LYSYL OXIDASE INHIBITORS LOXL1, LOXL2, LOXL3 HSD11B1 2770/4885GAA 437/4885L3MBTL1 312/4885
US-11325915-B2 Lysyl oxidase inhibitors LOXL1, LOXL2, LOXL3 HSD11B1 2770/4885GAA 437/4885L3MBTL1 312/4885

“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.