SCHEMBL20008753

SCHEMBL20008753

N=C(N)c1ccc2cc(OC(=O)c3ccc(OCCN)cc3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.63
F12 P00748 6/20 0.63
TMPRSS2 O15393 3/20 0.63
F2 P00734 3/20 0.63
ST14 Q9Y5Y6 3/20 0.63
F10 P00742 2/20 0.63
PLG P00747 2/20 0.63
CHRM2 P08172 2/20 0.63
MAOA P21397 2/20 0.63
SLC6A4 P31645 2/20 0.63
ADRA1A P35348 2/20 0.63
DRD3 P35462 2/20 0.63
SLC6A3 Q01959 2/20 0.63
KCNH2 Q12809 2/20 0.63
HRH3 Q9Y5N1 2/20 0.63
MLNR O43193 1/20 0.63
ALDH1A1 P00352 1/20 0.63
C1R P00736 1/20 0.63
LMNA P02545 1/20 0.63
ITGB3 P05106 1/20 0.63

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
SCHEMBL18720302 0.92 PRSS1 (0.60) PRSS1F12TMPRSS2F2ST14
SCHEMBL20008714 0.90 PRSS1 (0.63) PRSS1F12TMPRSS2F2ST14
SCHEMBL20008761 0.88 PRSS1 (0.62) PRSS1TMPRSS2F2ST14F10
SCHEMBL20008763 0.87 PRSS1 (0.60) PRSS1F12TMPRSS2F2ST14
SCHEMBL31380450 0.86 F12 (0.76) PRSS1F12TMPRSS2F2ST14
SCHEMBL7340925 0.84 F12 (0.66) PRSS1F12TMPRSS2F2ST14
SCHEMBL20008750 0.82 F12 (0.55) PRSS1F12TMPRSS2F2ST14
SCHEMBL18738608 0.82 MAPT (0.43) PRSS1F12TMPRSS2F2ST14
SCHEMBL20008708 0.82 F12 (0.60) PRSS1F12TMPRSS2F2ST14
SCHEMBL7337750 0.82 F12 (0.71) PRSS1F12TMPRSS2F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154549-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-03-26 US disclosed
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
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 (4 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-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885F12 3544/4885TMPRSS2 588/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885F12 3544/4885TMPRSS2 588/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885F12 3544/4885TMPRSS2 588/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885F12 3544/4885TMPRSS2 588/4885

“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.