SCHEMBL20008671

SCHEMBL20008671

CN(C)C(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)c(CC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.38
TMPRSS15 P98073 9/20 0.38
F2 P00734 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KLK1 P06870 2/20 0.35
SLC22A2 O15244 1/20 0.35
TMPRSS2 O15393 1/20 0.35
HPN P05981 1/20 0.35
PRSS2 P07478 1/20 0.35
CTSL P07711 1/20 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
SCHEMBL20008661 0.91 PRSS1 (0.47) PRSS1TMPRSS15F2MAPTKMT2A
SCHEMBL20008669 0.89 NR1H4 (0.45) PRSS1TMPRSS15F2PLGPLAU
SCHEMBL20008692 0.89 F10 (0.39) PRSS1TMPRSS15F2PLGKLK1
SCHEMBL20008677 0.82 KMT2A (0.39) PRSS1TMPRSS15F2MAPTKMT2A
SCHEMBL11309396 0.80 PRSS1 (0.52) PRSS1TMPRSS15F2MAPTKMT2A
SCHEMBL20008680 0.80 F2 (0.51) PRSS1TMPRSS15F2KLK1SLC22A2
SCHEMBL20008674 0.78 PRSS1 (0.42) PRSS1TMPRSS15F2KLK1SLC22A2
SCHEMBL20008675 0.78 PRSS1 (0.36) PRSS1TMPRSS15F2MAPTKMT2A
SCHEMBL20008683 0.77 PRSS1 (0.45) PRSS1TMPRSS15F2GAAPLG
SCHEMBL11305428 0.76 PRSS1 (0.56) PRSS1TMPRSS15F2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 US 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 (1 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885TMPRSS15 87/4885F2 3807/4885

“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.