SCHEMBL23769649

SCHEMBL23769649

CCc1nc(N2CC3CC3C2)ccc1Cc1cc(C(=O)O)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.43
SMYD3 Q9H7B4 1/20 0.33
RBP4 P02753 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
CHRM3 P20309 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NAMPT P43490 1/20 0.31
SYK P43405 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
SCHEMBL23843105 0.90 KLKB1 (0.43) KLKB1RBP4GRNSORT1HCRTR1
SCHEMBL23769371 0.88 KLKB1 (0.41) KLKB1MEN1KMT2AKDM4EHCRTR1
SCHEMBL23769647 0.88 KLKB1 (0.54) KLKB1RBP4
SCHEMBL29906631 0.81 KLKB1 (0.39) KLKB1KMT2AKDM4EHCRTR1HCRTR2
SCHEMBL23769127 0.81 KLKB1 (0.39) KLKB1KMT2AKDM4EHCRTR1HCRTR2
SCHEMBL23769359 0.80 KLKB1 (0.43) KLKB1RBP4HCRTR1HCRTR2
SCHEMBL23769648 0.80 KLKB1 (0.39) KLKB1RBP4HCRTR1HCRTR2
SCHEMBL23769372 0.79 KLKB1 (0.48) KLKB1KDM4E
SCHEMBL23768870 0.78 KLKB1 (0.54) KLKB1RBP4
SCHEMBL23768950 0.77 SMPD3 (0.39) KLKB1RBP4HCRTR1HCRTR2

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 1/4885SMYD3 3185/4885RBP4 3590/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885SMYD3 3185/4885RBP4 3590/4885

“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.