SCHEMBL22166243

SCHEMBL22166243

Cc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.59
BTK Q06187 5/20 0.43
RBP4 P02753 1/20 0.41
L3MBTL1 Q9Y468 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
Lithium Ion SCHEMBL30140720 0.89 KLKB1 (0.60) KLKB1BTK
SCHEMBL23469584 0.89 KLKB1 (0.59) KLKB1BTK
SCHEMBL23469581 0.88 KLKB1 (0.56) KLKB1BTK
SCHEMBL21712913 0.86 KLKB1 (0.47) KLKB1BTKL3MBTL1
SCHEMBL23769633 0.86 KLKB1 (0.46) KLKB1BTKRBP4L3MBTL1
SCHEMBL23769622 0.84 KLKB1 (0.45) KLKB1BTKRBP4L3MBTL1
SCHEMBL23843093 0.84 KLKB1 (0.45) KLKB1BTKRBP4L3MBTL1
SCHEMBL21736642 0.83 KLKB1 (0.44) KLKB1L3MBTL1
SCHEMBL20541004 0.83 KLKB1 (0.61) KLKB1BTK
SCHEMBL30140684 0.83 KLKB1 (0.61) KLKB1BTK

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-3612523-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-09 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

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 1/4885BTK 1297/4885RBP4 3163/4885

“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.