SCHEMBL23830202

SCHEMBL23830202

CCc1nc(N2CC3CC3C2)ccc1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.39
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
RBP4 P02753 1/20 0.36
HSD11B1 P28845 3/20 0.35
SMPD3 Q9NY59 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP19A1 P11511 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
SCHEMBL23768950 0.87 SMPD3 (0.39) KLKB1HCRTR1HCRTR2RBP4SMPD3
SCHEMBL23769134 0.86 KLKB1 (0.38) KLKB1HCRTR1HCRTR2
SCHEMBL23769616 0.83 SMPD3 (0.36) KLKB1HCRTR1HCRTR2RBP4SMPD3
SCHEMBL29906555 0.80 SMPD3 (0.34) KLKB1HCRTR1HCRTR2RBP4SMPD3
SCHEMBL23754018 0.80 SMPD3 (0.34) KLKB1HCRTR1HCRTR2RBP4SMPD3
SCHEMBL23843137 0.78 KLKB1 (0.35) KLKB1HCRTR1HCRTR2SMPD3
SCHEMBL23769391 0.77 SMPD3 (0.34) KLKB1HCRTR1HCRTR2SMPD3
SCHEMBL23754011 0.77 SMPD3 (0.33) KLKB1HCRTR1HCRTR2SMPD3GRIN2B
SCHEMBL23754009 0.77 SMPD3 (0.33) KLKB1HCRTR1HCRTR2SMPD3GRIN2B
SCHEMBL29906648 0.77 SMPD3 (0.33) KLKB1HCRTR1HCRTR2SMPD3GRIN2B

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-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 1/4885HCRTR1 685/4885HCRTR2 816/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885HCRTR1 685/4885HCRTR2 816/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885HCRTR1 685/4885HCRTR2 816/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885HCRTR1 685/4885HCRTR2 816/4885

“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.