SCHEMBL23769354

SCHEMBL23769354

Cc1c(C=O)cnc(N2CC3CC3C2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.41
HRH4 Q9H3N8 1/20 0.33
GRM4 Q14833 1/20 0.32
OPRK1 P41145 2/20 0.31
CHRNB2 P17787 2/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA4 P43681 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL29906570 0.84 SCN10A (0.32) KLKB1GRM4OPRK1
SCHEMBL23754348 0.84 SCN10A (0.32) KLKB1GRM4OPRK1
SCHEMBL23843092 0.82 KLKB1 (0.40) KLKB1HRH4CHRNB2CHRNB4CHRNA3
SCHEMBL23768881 0.80 KLKB1 (0.39) KLKB1HRH4CHRNB2CHRNB4CHRNA3
SCHEMBL23769167 0.76 KLKB1 (0.47) KLKB1HRH4CHRNB2CHRNB4CHRNA3
SCHEMBL23754055 0.76 KLKB1 (0.37) KLKB1
SCHEMBL23768880 0.68 ALDH1A1 (0.36) OPRK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23754041 0.65 ALDH1A1 (0.43) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23843104 0.65 ALDH1A1 (0.32) KLKB1ALDH1A1
SCHEMBL2215378 0.62 KDM4E (0.41) HRH4GRM4ALDH1A1

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 1/4885HRH4 62/4885GRM4 4310/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885HRH4 62/4885GRM4 4310/4885

“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.