SCHEMBL21713012

SCHEMBL21713012

Cc1nc(N2CC3(CC3)C2)ncc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
ALDH1A1 P00352 7/20 0.36
HPGD P15428 7/20 0.36
HSD17B10 Q99714 7/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
PDXK O00764 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOX1 Q06278 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE10A Q9Y233 1/20 0.32
CYP2D6 P10635 2/20 0.31
KLKB1 P03952 1/20 0.30
CYP1A2 P05177 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
SCHEMBL23843231 0.82 NR1H2 (0.38) NR1H2ALDH1A1HPGDHSD17B10PDXK
SCHEMBL30708890 0.80 NR1H2 (0.53) NR1H2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL26969841 0.80 NR1H2 (0.53) NR1H2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21712931 0.77 KLKB1 (0.40) NR1H2ALDH1A1HPGDHSD17B10MEN1
SCHEMBL31033204 0.77 KLKB1 (0.40) NR1H2ALDH1A1HPGDHSD17B10MEN1
SCHEMBL23830199 0.77 POLB (0.34) NR1H2ALDH1A1HPGDHSD17B10POLB
SCHEMBL20541008 0.76 NR1H2 (0.45) NR1H2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21736645 0.75 NR1H2 (0.45) NR1H2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21712938 0.75 NR1H2 (0.45) NR1H2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21736663 0.75 NR1H2 (0.44) NR1H2ALDH1A1HPGDHSD17B10KDM4E

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 18 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-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-09-17 US disclosed
CN-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN 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-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 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
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 NR1H2 957/4885ALDH1A1 1223/4885HPGD 407/4885
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 NR1H2 1588/4885ALDH1A1 1253/4885HPGD 219/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 NR1H2 1022/4885ALDH1A1 1415/4885HPGD 397/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NR1H2 957/4885ALDH1A1 1223/4885HPGD 407/4885
US-12091399-B2 Phenyltetrazole derivatives as plasma kallikrein inhibitors KLKB1, SERPINE1, SERPINB1 NR1H2 1588/4885ALDH1A1 1253/4885HPGD 219/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NR1H2 1022/4885ALDH1A1 1415/4885HPGD 397/4885

“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.