SCHEMBL553163

SCHEMBL553163

CCOC(=O)c1cnn(C(CO)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.52
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
ABCB11 O95342 1/20 0.44
GABRA2 P47869 1/20 0.44
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
ITK Q08881 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
F2RL3 Q96RI0 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL25911754 0.91 ITK (0.46) KLKB1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL5106095 0.86 CYP1A2 (0.47) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL30825007 0.85 NPY2R (0.41) KLKB1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL23212254 0.85 CYP1A2 (0.55) KLKB1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL949168 0.85 CYP1A2 (0.55) KLKB1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL12913218 0.85 CYP1A2 (0.55) KLKB1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL31075241 0.83 PGR (0.40) KLKB1LMNAHPGDALDH1A1GAA
SCHEMBL553831 0.83 KLKB1 (0.53) KLKB1ITK
SCHEMBL31043467 0.82 CYP1A2 (0.45) KLKB1CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL27398435 0.82 CYP1A2 (0.45) KLKB1CYP1A2CYP3A4GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099478-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-27 US disclosed
CN-118613483-A Plasma kallikrein inhibitors 默沙东有限责任公司 2024-09-06 CN disclosed
WO-2023146809-A9 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-14 WO disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
CN-103080104-A N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein NOVARTIS AG 2013-05-01 CN disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 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-20250099478-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 KLKB1 1/4885CYP1A2 2669/4885CYP3A4 2535/4885
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT KLKB1 4526/4885CYP1A2 117/4885CYP3A4 254/4885

“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.