SCHEMBL17065063

SCHEMBL17065063

COc1ccc2cc(C(NCC3CC3)c3cccc(N)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.47
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
TACR1 P25103 1/20 0.39
ABCB11 O95342 1/20 0.39
CASR P41180 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
AOC3 Q16853 1/20 0.37
PLAU P00749 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL31067562 1.00 KLKB1 (0.47) KLKB1ALDH1A1CYP3A4SMYD3TACR1
SCHEMBL17064389 0.87 KLKB1 (0.44) KLKB1ALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL31067579 0.87 KLKB1 (0.44) KLKB1ALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL17065062 0.84 KLKB1 (0.50) KLKB1SMYD3AKR1C3AKR1C2AKR1C1
SCHEMBL31067713 0.81 KLKB1 (0.48) KLKB1ALDH1A1
SCHEMBL17064901 0.81 KLKB1 (0.48) KLKB1ALDH1A1
SCHEMBL31067441 0.80 KLKB1 (0.43) KLKB1CYP3A4TACR1
SCHEMBL17064410 0.80 KLKB1 (0.43) KLKB1CYP3A4TACR1
SCHEMBL17073494 0.78 KLKB1 (0.43) KLKB1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL7785547 0.77 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
EP-4180424-A1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2023-05-17 EP disclosed
US-20230094305-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 US disclosed
US-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 US disclosed
US-10689346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 US disclosed
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-10-24 US disclosed
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-13 US disclosed
US-10125102-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2018-11-13 US disclosed
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-09-13 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 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 (16 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-20230100082-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1220/4885CYP3A4 1570/4885
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1136/4885CYP3A4 1441/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1220/4885CYP3A4 1570/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885
US-20230094305-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1425/4885CYP3A4 1603/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1136/4885CYP3A4 1441/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1136/4885CYP3A4 1441/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1425/4885CYP3A4 1603/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1136/4885CYP3A4 1441/4885
US-10689346-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1065/4885CYP3A4 1447/4885

“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.