SCHEMBL21736628

SCHEMBL21736628

CCOC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2C)nc1OC

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.60

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
SCHEMBL30140719 1.00 KLKB1 (0.60) KLKB1
SCHEMBL23469546 0.90 KLKB1 (0.57) KLKB1
SCHEMBL20540977 0.89 KLKB1 (0.63) KLKB1
SCHEMBL21713105 0.89 KLKB1 (0.51) KLKB1
SCHEMBL23769527 0.88 KLKB1 (0.61) KLKB1
SCHEMBL24105343 0.88 KLKB1 (0.53) KLKB1
SCHEMBL21713090 0.88 KLKB1 (0.59) KLKB1
SCHEMBL23469496 0.86 KLKB1 (0.51) KLKB1
SCHEMBL31357806 0.86 KLKB1 (0.51) KLKB1
SCHEMBL23754099 0.86 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110546146-B Heteroaryl carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2023-02-21 CN disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
EP-3612523-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-09 EP disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed
US-20180305339-A1 Heteroarylcarboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-10-25 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 (3 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-20180305339-A1 Heteroarylcarboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 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.