SCHEMBL20008677

SCHEMBL20008677

CN(C)C(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
PRSS1 P07477 10/20 0.37
ACR P10323 1/20 0.37
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
F2 P00734 6/20 0.37
KLK1 P06870 4/20 0.37
TMPRSS2 O15393 2/20 0.37
HPN P05981 2/20 0.37
ADRA1A P35348 2/20 0.37
HGFAC Q04756 2/20 0.37
KCNH2 Q12809 2/20 0.37
SLC22A2 O15244 1/20 0.37
CTSL P07711 1/20 0.37
CNR1 P21554 1/20 0.37
OPRD1 P41143 1/20 0.37
SLC47A2 Q86VL8 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL20008665 0.91 PRSS1 (0.47) KMT2APRSS1ACRPRSS2PRSS3
SCHEMBL20008670 0.89 PRSS1 (0.44) KMT2APRSS1ACRPRSS2PRSS3
SCHEMBL20008685 0.89 TMPRSS15 (0.41) PRSS1PRSS2PRSS3F2KLK1
SCHEMBL20008671 0.82 PRSS1 (0.38) KMT2APRSS1PRSS2PRSS3F2
SCHEMBL7306882 0.81 PRSS1 (0.42) KMT2APRSS1ACRPRSS2PRSS3
SCHEMBL1646244 0.80 PRSS1 (0.39) KMT2APRSS1ACRPRSS2PRSS3
SCHEMBL7612395 0.80 PRSS1 (0.42) KMT2APRSS1ACRPRSS2PRSS3
SCHEMBL11309396 0.80 PRSS1 (0.52) KMT2APRSS1ACRPRSS2PRSS3
SCHEMBL20008690 0.80 PRSS1 (0.51) PRSS1PRSS2PRSS3F2KLK1
SCHEMBL20008675 0.78 PRSS1 (0.36) KMT2APRSS1PRSS2PRSS3F2

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 KMT2A 1946/4885PRSS1 952/4885ACR 4881/4885

“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.