SCHEMBL20118807

SCHEMBL20118807

COCC(COC)OC(=O)NC(=N)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAOA P21397 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL7062605 0.83 PLAU (0.43) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL20118547 0.80 LMNA (0.41) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL23588775 0.78 CYP3A4 (0.41) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL30232965 0.78 CYP3A4 (0.41) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL20118660 0.77 LMNA (0.49) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL20118589 0.76 SCN1A (0.35) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL20118526 0.76 LMNA (0.57) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL20118825 0.76 SCN1A (0.34) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL20118514 0.75 SCN1A (0.37) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL20118541 0.74 SCN1A (0.39) SCN1ASCN2ASCN3AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618731-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
EP-3532057-B1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2022-12-21 EP disclosed
US-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-01 US disclosed
US-10759759-B2 Prodrugs of kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
WO-2018081513-A1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2018-05-03 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 (3 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-20210198204-A1 PRODRUGS OF KALLIKREIN INHIBITORS KLKB1, SERPINB1, KLK1 SCN1A 992/4885SCN2A 2285/4885SCN3A 1002/4885
US-11618731-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 SCN1A 992/4885SCN2A 2285/4885SCN3A 1002/4885
US-10759759-B2 Prodrugs of kallikrein inhibitors KLKB1, SERPINB1, KLK1 SCN1A 992/4885SCN2A 2285/4885SCN3A 1002/4885

“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.