SCHEMBL21919785

SCHEMBL21919785

CC(N[C@H]1CC[C@H](O)CC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
EPHX1 P07099 2/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
HPGD P15428 1/20 0.43
BRD4 O60885 3/20 0.41
BRD2 P25440 2/20 0.41
BRD3 Q15059 2/20 0.41
BRDT Q58F21 2/20 0.41
MAN2A1 Q16706 1/20 0.40
MAN1B1 Q9UKM7 1/20 0.40

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
SCHEMBL27818229 0.91 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL664938 0.91 GAA (0.85) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL7751819 0.84 GAA (0.73) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3668041 0.83 GAA (1.00) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3665477 0.82 GAA (0.71) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3671016 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL21104687 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL3665297 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A
SCHEMBL30261769 0.81 GAA (0.46) GAAL3MBTL1LMNABRD4BRD2
SCHEMBL28091017 0.81 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203574-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-21 US disclosed
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 US disclosed
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 US 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 (4 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-11203574-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 GAA 450/4885L3MBTL1 3552/4885MEN1 393/4885
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 GAA 450/4885L3MBTL1 3552/4885MEN1 393/4885
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 GAA 450/4885L3MBTL1 3552/4885MEN1 393/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 GAA 357/4885L3MBTL1 3109/4885MEN1 519/4885

“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.