SCHEMBL21736665

SCHEMBL21736665

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.38
KHK P50053 15/20 0.34
PDE10A Q9Y233 2/20 0.34
OPRK1 P41145 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL21713020 1.00 KLKB1 (0.38) KLKB1KHKPDE10AOPRK1MAP4K4
SCHEMBL21713019 1.00 KLKB1 (0.38) KLKB1KHKPDE10AOPRK1MAP4K4
SCHEMBL31033193 1.00 KLKB1 (0.38) KLKB1KHKPDE10AOPRK1MAP4K4
SCHEMBL21713044 0.84 KLKB1 (0.34) KLKB1PDE10AMAP4K4
SCHEMBL21713046 0.84 KLKB1 (0.34) KLKB1PDE10AMAP4K4
SCHEMBL21713045 0.84 KLKB1 (0.34) KLKB1PDE10AMAP4K4
SCHEMBL21713083 0.81 KLKB1 (0.42) KLKB1KHKPDE10A
SCHEMBL21713082 0.81 KLKB1 (0.42) KLKB1KHKPDE10A
SCHEMBL21736668 0.81 KLKB1 (0.42) KLKB1KHKPDE10A
SCHEMBL21712992 0.79 SMPD3 (0.39) KLKB1PDE10A

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-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 1/4885KHK 31/4885PDE10A 3501/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885KHK 31/4885PDE10A 3501/4885

“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.