SCHEMBL23768950

SCHEMBL23768950

CCc1ccc(N2CC3CC3C2)nc1CC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.39
KLKB1 P03952 12/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
PDE10A Q9Y233 1/20 0.36
RBP4 P02753 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL23769616 0.89 SMPD3 (0.36) SMPD3KLKB1HCRTR1HCRTR2PDE10A
SCHEMBL23754018 0.89 SMPD3 (0.34) SMPD3KLKB1HCRTR1HCRTR2PDE10A
SCHEMBL29906555 0.89 SMPD3 (0.34) SMPD3KLKB1HCRTR1HCRTR2PDE10A
SCHEMBL23830202 0.87 KLKB1 (0.39) SMPD3KLKB1HCRTR1HCRTR2RBP4
SCHEMBL23769391 0.86 SMPD3 (0.34) SMPD3KLKB1HCRTR1HCRTR2PDE10A
SCHEMBL23843150 0.84 KLKB1 (0.35) SMPD3KLKB1HCRTR1HCRTR2PDE10A
SCHEMBL23769134 0.84 KLKB1 (0.38) KLKB1HCRTR1HCRTR2
SCHEMBL26311968 0.84 SMPD3 (0.39) SMPD3KLKB1HCRTR1HCRTR2PDE10A
SCHEMBL23843137 0.83 KLKB1 (0.35) SMPD3KLKB1HCRTR1HCRTR2PDE10A
SCHEMBL23830176 0.83 KLKB1 (0.35) SMPD3KLKB1HCRTR1HCRTR2PDE10A

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 2 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
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 (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-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SMPD3 1629/4885KLKB1 1/4885HCRTR1 685/4885

“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.