SCHEMBL23769694

SCHEMBL23769694

CCOC(=O)c1cc(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)no1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.39
TRPA1 O75762 1/20 0.34
POLB P06746 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 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
SCHEMBL23769506 0.91 MAPT (0.34) KLKB1TRPA1PDE10AALDH1A1KDM4E
SCHEMBL23769464 0.91 KLKB1 (0.33) KLKB1TRPA1PDE10AALDH1A1KMT2A
SCHEMBL23769297 0.90 KLKB1 (0.34) KLKB1TRPA1PDE10AALDH1A1KMT2A
SCHEMBL23768962 0.90 KLKB1 (0.34) KLKB1TRPA1PDE10AHDAC4HDAC6
SCHEMBL23769405 0.89 KLKB1 (0.40) KLKB1TRPA1POLBPDE10AKDM4E
SCHEMBL23769270 0.88 KLKB1 (0.43) KLKB1TRPA1
SCHEMBL23769302 0.85 ADORA3 (0.34) TRPA1PDE10AALDH1A1KMT2AKDM4E
SCHEMBL23843116 0.85 ADORA3 (0.34) TRPA1PDE10AALDH1A1KMT2AKDM4E
SCHEMBL23843172 0.84 PDE10A (0.33) KLKB1PDE10AALDH1A1KMT2AHDAC4
SCHEMBL23769415 0.82 KLKB1 (0.39) KLKB1POLBPDE10AKMT2AKDM4E

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 1/4885TRPA1 3271/4885POLB 3776/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885TRPA1 3271/4885POLB 3776/4885

“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.