SCHEMBL23754091

SCHEMBL23754091

N#Cc1cc(Br)cnc1N1CC2CC2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.41
CHRNB4 P30926 9/20 0.41
CHRNA3 P32297 9/20 0.41
CHRNA4 P43681 9/20 0.41
OPRK1 P41145 4/20 0.37
HRH4 Q9H3N8 2/20 0.37
AR P10275 1/20 0.36
JAK2 O60674 1/20 0.36
GRM1 Q13255 1/20 0.36
CNR2 P34972 1/20 0.34

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
SCHEMBL29906538 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL20474638 0.85 OPRK1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL22996455 0.80 CNR2 (0.50) OPRK1ARCNR2
SCHEMBL23754323 0.78 GRM1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL15971696 0.78 OPRK1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL17387847 0.78 OPRK1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL19343217 0.78 CNR2 (0.52) OPRK1ARCNR2
SCHEMBL25065698 0.77 OPRK1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL22031993 0.77 OPRK1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1
SCHEMBL22031992 0.77 OPRK1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4OPRK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-25 US disclosed
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 US disclosed
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-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
EP-4103562-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-12-21 EP disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 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
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 (5 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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CHRNB2 3345/4885CHRNB4 3566/4885CHRNA3 3108/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CHRNB2 3345/4885CHRNB4 3566/4885CHRNA3 3108/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CHRNB2 3345/4885CHRNB4 3566/4885CHRNA3 3108/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CHRNB2 3345/4885CHRNB4 3566/4885CHRNA3 3108/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CHRNB2 3345/4885CHRNB4 3566/4885CHRNA3 3108/4885

“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.