SCHEMBL23768962

SCHEMBL23768962

CCOC(=O)c1cc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C=O)no1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.34
TRPA1 O75762 1/20 0.33
PDE10A Q9Y233 1/20 0.31
ADORA2B P29275 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PIK3CA P42336 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23769694 0.90 KLKB1 (0.39) KLKB1TRPA1PDE10AHDAC4HDAC6
SCHEMBL23769506 0.88 MAPT (0.34) KLKB1TRPA1PDE10ALMNAMAPT
SCHEMBL23769464 0.88 KLKB1 (0.33) KLKB1TRPA1PDE10AHDAC4HDAC6
SCHEMBL23843116 0.88 ADORA3 (0.34) TRPA1PDE10AADORA2BLMNAMAPT
SCHEMBL23769302 0.88 ADORA3 (0.34) TRPA1PDE10AADORA2BLMNAMAPT
SCHEMBL23768964 0.88 KLKB1 (0.41) KLKB1TRPA1PDE10APIK3CALMNA
SCHEMBL23769297 0.88 KLKB1 (0.34) KLKB1TRPA1PDE10AHDAC4HDAC6
SCHEMBL23769405 0.87 KLKB1 (0.40) KLKB1TRPA1PDE10APIK3CA
SCHEMBL23843172 0.82 PDE10A (0.33) KLKB1PDE10AHDAC4HDAC6PIK3CA
SCHEMBL23769270 0.78 KLKB1 (0.43) KLKB1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO 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 (2 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885TRPA1 3271/4885PDE10A 3529/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885TRPA1 3271/4885PDE10A 3529/4885

“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.