SCHEMBL23769341

SCHEMBL23769341

O=C(O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2CO)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.44
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
RBP4 P02753 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL23768852 0.91 KLKB1 (0.45) KLKB1ALDH1A1CYP2D6HSD17B10HPGD
SCHEMBL23843221 0.90 KLKB1 (0.43) KLKB1ALDH1A1CYP2D6HSD17B10HPGD
SCHEMBL23768901 0.86 KLKB1 (0.44) KLKB1ALDH1A1CYP2D6HSD17B10HPGD
SCHEMBL23769199 0.86 KLKB1 (0.44) KLKB1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL21736740 0.86 KLKB1 (0.48) KLKB1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL23769197 0.86 KLKB1 (0.48) KLKB1ALDH1A1CYP2D6HSD17B10HPGD
SCHEMBL23769222 0.86 KLKB1 (0.44) KLKB1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL23769625 0.83 KLKB1 (0.60) KLKB1RBP4KDM4E
SCHEMBL23769369 0.83 KLKB1 (0.44) KLKB1RBP4
SCHEMBL23830177 0.83 KLKB1 (0.44) KLKB1RBP4

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 5 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
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN 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 1/4885ALDH1A1 1223/4885CYP2D6 723/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1223/4885CYP2D6 723/4885

“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.