SCHEMBL17064427

SCHEMBL17064427

N#Cc1ccc(C(=O)CCC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
GSK3B P49841 2/20 0.54
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
HTR1A P08908 3/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL7732466 0.84 KMT2A (0.45) SIGMAR1GSK3BCA1CA2KMT2A
SCHEMBL29581628 0.81 GSK3B (0.59) GSK3BKMT2ABCHEACHEHTR1A
SCHEMBL17064976 0.81 GSK3B (0.59) GSK3BKMT2ABCHEACHEHTR1A
SCHEMBL7732470 0.81 SIGMAR1 (0.48) SIGMAR1GSK3BBCHEACHEHTR1A
SCHEMBL27427396 0.81 GSK3B (0.51) SIGMAR1GSK3BCA1CA2RAB9A
SCHEMBL21919220 0.80 SIGMAR1 (0.43) SIGMAR1GSK3BCA1CA2RAB9A
SCHEMBL7723348 0.80 GPR119 (0.60) SIGMAR1
SCHEMBL21726649 0.80 GSK3B (0.50) SIGMAR1GSK3BCA1CA2RAB9A
SCHEMBL21793705 0.79 GSK3B (0.53) SIGMAR1GSK3BCA1CA2RAB9A
SCHEMBL3303126 0.78 GSK3B (0.49) SIGMAR1GSK3BCA1CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 CN disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-20 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
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 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
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 (11 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-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 SIGMAR1 4643/4885GSK3B 2785/4885CA1 1990/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SIGMAR1 4625/4885GSK3B 1641/4885CA1 1323/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885GSK3B 1641/4885CA1 1323/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885GSK3B 1641/4885CA1 1323/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 SIGMAR1 4643/4885GSK3B 2785/4885CA1 1990/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 SIGMAR1 4643/4885GSK3B 2785/4885CA1 1990/4885
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4683/4885GSK3B 1625/4885CA1 1442/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885GSK3B 1641/4885CA1 1323/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885GSK3B 1641/4885CA1 1323/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 SIGMAR1 4643/4885GSK3B 2785/4885CA1 1990/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SIGMAR1 4625/4885GSK3B 1641/4885CA1 1323/4885

“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.