SCHEMBL23769157

SCHEMBL23769157

COCc1ccc(N2CC3CC3C2)nc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.37
SMPD3 Q9NY59 2/20 0.36
PDE10A Q9Y233 2/20 0.34
RBP4 P02753 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRM1 Q13255 1/20 0.31
ADRA1A P35348 2/20 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
SCHEMBL23769139 0.83 KLKB1 (0.40) KLKB1
SCHEMBL23768893 0.81 PIM1 (0.36) KLKB1SMPD3PDE10ARBP4
SCHEMBL23769136 0.78 KLKB1 (0.38) KLKB1ADRA1A
SCHEMBL21746964 0.72 KLKB1 (0.48) KLKB1
SCHEMBL23843150 0.72 KLKB1 (0.35) KLKB1SMPD3PDE10A
SCHEMBL23830245 0.71 KLKB1 (0.35) KLKB1SMPD3
SCHEMBL23768950 0.71 SMPD3 (0.39) KLKB1SMPD3PDE10ARBP4GRIN2B
SCHEMBL23769377 0.70 KLKB1 (0.34) KLKB1SMPD3PDE10A
SCHEMBL16606959 0.70 LMNA (0.35) ADRA1A
SCHEMBL23769666 0.70 PDE10A (0.38) SMPD3PDE10ARBP4GRIN2BGRM1

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 1/4885SMPD3 1629/4885PDE10A 3529/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885SMPD3 1629/4885PDE10A 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.