SCHEMBL21713002

SCHEMBL21713002

Cc1nc(N2CC3(CC3)C2)ccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 8/20 0.34
HSD17B10 Q99714 7/20 0.34
HPGD P15428 5/20 0.34
HIF1A Q16665 3/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 2/20 0.34
KLKB1 P03952 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
HTR3A P46098 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL31033234 1.00 MEN1 (0.36) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL29976461 0.83 ALDH1A1 (0.36) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL23754431 0.83 ALDH1A1 (0.36) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL23769651 0.83 TRIM24 (0.35) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL23769660 0.83 PIM1 (0.33) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL21712992 0.74 SMPD3 (0.39) KLKB1
SCHEMBL21713091 0.74 KLKB1 (0.36) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL31033243 0.74 KLKB1 (0.36) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL21713045 0.73 KLKB1 (0.34) ALDH1A1KLKB1NPC1PKMRAB9A
SCHEMBL21713046 0.73 KLKB1 (0.34) ALDH1A1KLKB1NPC1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP 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-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
EP-3837252-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-06-23 EP disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US 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 (4 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 MEN1 1404/4885GFER 977/4885KMT2A 227/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 MEN1 1059/4885GFER 1565/4885KMT2A 262/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 MEN1 1404/4885GFER 977/4885KMT2A 227/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 MEN1 1059/4885GFER 1565/4885KMT2A 262/4885

“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.