SCHEMBL20008741

SCHEMBL20008741

N=C(N)c1ccc(OC(=O)c2ccc(OCCNC(=O)CCCC(=O)NCCOCCNC(=O)CCCC(=O)NCCOc3ccc(C(=O)Oc4ccc(C(=N)N)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PRSS1 P07477 8/20 0.49
TMPRSS2 O15393 2/20 0.49
PRMT1 Q99873 3/20 0.48
F2 P00734 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
F10 P00742 2/20 0.48
PLAU P00749 1/20 0.48
PRMT5 O14744 1/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
PTP4A3 O75365 1/20 0.48
SLC22A3 O75751 1/20 0.48
PLG P00747 1/20 0.48
S100B P04271 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48

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
SCHEMBL20008757 0.91 F12 (0.51) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL20008745 0.89 ITGB3 (0.47) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL20008758 0.83 ATM (0.42) ITGB3ITGA2BPRSS1ACR
SCHEMBL20008755 0.81 TMPRSS2 (0.66) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL20008711 0.81 PRSS1 (0.67) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL20008717 0.81 ITGB3 (0.51) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL20008744 0.81 FTO (0.46) ITGB3ITGA2BPRSS1TMPRSS2F2
SCHEMBL20008762 0.79 KMT2A (0.43) ITGB3ITGA2BPRSS1ACR
SCHEMBL20008628 0.78 ITGB3 (0.53) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL16808259 0.77 ITGB3 (0.65) ITGB3ITGA2BPRSS1TMPRSS2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10335406-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-07-02 US disclosed
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 (2 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 ITGB3 2592/4885ITGA2B 2485/4885PRSS1 952/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 ITGB3 2592/4885ITGA2B 2485/4885PRSS1 952/4885

“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.