SCHEMBL22166231

SCHEMBL22166231

Cc1nc(N2CC3(CC3)C2)ncc1Cn1cc(C(N)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.44
NR1H2 P55055 1/20 0.34

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
SCHEMBL21736642 0.90 KLKB1 (0.44) KLKB1NR1H2
SCHEMBL21736734 0.87 KLKB1 (0.41) KLKB1
SCHEMBL24918421 0.86 KLKB1 (0.43) KLKB1NR1H2
SCHEMBL23830240 0.81 KLKB1 (0.55) KLKB1
SCHEMBL21736873 0.77 KLKB1 (0.36) KLKB1NR1H2
SCHEMBL23769461 0.76 KLKB1 (0.58) KLKB1
SCHEMBL21736732 0.75 KLKB1 (0.40) KLKB1NR1H2
SCHEMBL21713012 0.74 NR1H2 (0.50) KLKB1NR1H2
SCHEMBL22166243 0.73 KLKB1 (0.59) KLKB1
SCHEMBL21736884 0.73 KLKB1 (0.44) KLKB1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885NR1H2 1022/4885

“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.