SCHEMBL29580643

SCHEMBL29580643

N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NCC3CC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.53
PLG P00747 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
VNN1 O95497 1/20 0.39

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
SCHEMBL29825742 1.00 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL18623226 1.00 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL17064666 1.00 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL22967743 0.88 KLKB1 (0.53) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL29581238 0.86 KLKB1 (0.50) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL17064855 0.86 KLKB1 (0.50) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL18623229 0.86 KLKB1 (0.50) KLKB1PLGPRSS1PRSS2PRSS3
SCHEMBL17064891 0.85 KLKB1 (0.50) KLKB1
SCHEMBL17073530 0.85 KLKB1 (0.50) KLKB1
SCHEMBL17064664 0.82 KLKB1 (0.51) KLKB1PLGPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 CN disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 US disclosed
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 CN disclosed
CN-108289893-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-04-12 CN 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-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885PLG 32/4885PRSS1 40/4885

“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.