SCHEMBL24105366

SCHEMBL24105366

Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)O)c(N)n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.58

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
SCHEMBL21736736 0.90 KLKB1 (0.60) KLKB1
SCHEMBL23469587 0.88 KLKB1 (0.54) KLKB1
SCHEMBL23843095 0.88 KLKB1 (0.53) KLKB1
SCHEMBL21713022 0.88 KLKB1 (0.62) KLKB1
SCHEMBL31033211 0.88 KLKB1 (0.62) KLKB1
SCHEMBL20540777 0.87 KLKB1 (0.64) KLKB1
SCHEMBL20540977 0.86 KLKB1 (0.63) KLKB1
SCHEMBL24105333 0.85 KLKB1 (0.51) KLKB1
SCHEMBL23469647 0.85 KLKB1 (0.62) KLKB1
SCHEMBL23769237 0.85 KLKB1 (0.51) KLKB1

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
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 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 (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-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 KLKB1 1/4885

“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.