SCHEMBL17064577

SCHEMBL17064577

CC(C)(C)[S+]([O-])/N=C(/CCC1CC1)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.38
DRD2 P14416 4/20 0.37
DRD4 P21917 3/20 0.37
GSK3B P49841 2/20 0.36
DRD3 P35462 3/20 0.34
CASR P41180 1/20 0.34
CHRM4 P08173 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC9A1 P19634 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL20553834 1.00 VNN1 (0.38) VNN1DRD2DRD4GSK3BDRD3
SCHEMBL18623199 1.00 VNN1 (0.38) VNN1DRD2DRD4GSK3BDRD3
SCHEMBL17064580 1.00 VNN1 (0.38) VNN1DRD2DRD4GSK3BDRD3
SCHEMBL17064313 0.86 SIGMAR1 (0.38) CHRM4
SCHEMBL18623194 0.86 SIGMAR1 (0.38) CHRM4
SCHEMBL17064314 0.86 SIGMAR1 (0.38) CHRM4
SCHEMBL17064457 0.81 ACHE (0.37)
SCHEMBL17064890 0.81 ACHE (0.37)
SCHEMBL18623191 0.81 ACHE (0.37)
SCHEMBL21919218 0.77 GSK3B (0.39) VNN1DRD2DRD4GSK3BCYP3A4

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 44 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
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
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
EP-4019022-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2024-01-31 EP disclosed
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 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-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
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 (14 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 VNN1 1045/4885DRD2 4705/4885DRD4 4791/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 VNN1 1508/4885DRD2 4790/4885DRD4 4793/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 VNN1 1508/4885DRD2 4790/4885DRD4 4793/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 VNN1 1508/4885DRD2 4790/4885DRD4 4793/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 VNN1 1045/4885DRD2 4705/4885DRD4 4791/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 VNN1 1045/4885DRD2 4705/4885DRD4 4791/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 VNN1 1045/4885DRD2 4705/4885DRD4 4791/4885
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 VNN1 1045/4885DRD2 4705/4885DRD4 4791/4885
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 VNN1 1638/4885DRD2 4743/4885DRD4 4763/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 VNN1 1508/4885DRD2 4790/4885DRD4 4793/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 VNN1 1508/4885DRD2 4790/4885DRD4 4793/4885
US-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 VNN1 1638/4885DRD2 4743/4885DRD4 4763/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 VNN1 1045/4885DRD2 4705/4885DRD4 4791/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 VNN1 1508/4885DRD2 4790/4885DRD4 4793/4885

“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.