SCHEMBL21713044

SCHEMBL21713044

Cc1nc(N2C[C@@H]3[C@@H](C)[C@@H]3C2)ccc1C=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SORD Q00796 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
PDE10A Q9Y233 4/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL21713045 1.00 KLKB1 (0.34) KLKB1KDM4EALDH1A1GAASORD
SCHEMBL21713046 1.00 KLKB1 (0.34) KLKB1KDM4EALDH1A1GAASORD
SCHEMBL23768883 0.85 ALDH1A1 (0.37) KDM4EALDH1A1GAASORDPDE10A
SCHEMBL21713019 0.84 KLKB1 (0.38) KLKB1PDE10AMAP4K4
SCHEMBL21713020 0.84 KLKB1 (0.38) KLKB1PDE10AMAP4K4
SCHEMBL21736665 0.84 KLKB1 (0.38) KLKB1PDE10AMAP4K4
SCHEMBL31033193 0.84 KLKB1 (0.38) KLKB1PDE10AMAP4K4
SCHEMBL21712992 0.83 SMPD3 (0.39) KLKB1PDE10A
SCHEMBL21713091 0.79 KLKB1 (0.36) KLKB1KDM4EALDH1A1GAANPC1
SCHEMBL31033243 0.79 KLKB1 (0.36) KLKB1KDM4EALDH1A1GAANPC1

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-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 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 (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-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 337/4885ALDH1A1 1415/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885KDM4E 337/4885ALDH1A1 1415/4885

“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.