SCHEMBL20008632

SCHEMBL20008632

COCCOCC(=O)NCCCCOc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
F12 P00748 6/20 0.47
F10 P00742 5/20 0.47
PRSS1 P07477 5/20 0.47
F2 P00734 5/20 0.47
PLG P00747 3/20 0.47
ST14 Q9Y5Y6 3/20 0.47
C1R P00736 2/20 0.47
KLK1 P06870 2/20 0.47
HGFAC Q04756 2/20 0.47
TMPRSS2 O15393 2/20 0.47
CHRM2 P08172 2/20 0.47
MAOA P21397 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA1A P35348 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47

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
SCHEMBL20008628 0.91 ITGB3 (0.53) ITGB3ITGA2BF10PRSS1F2
SCHEMBL20008744 0.87 FTO (0.46) FTOITGB3ITGA2BF12F10
SCHEMBL20008750 0.85 F12 (0.55) FTOITGB3ITGA2BF12F10
SCHEMBL20008757 0.80 F12 (0.51) FTOITGB3ITGA2BF12F10
SCHEMBL20008763 0.80 PRSS1 (0.60) FTOITGB3ITGA2BF12F10
SCHEMBL20008714 0.80 PRSS1 (0.63) FTOITGB3ITGA2BF12F10
SCHEMBL20008745 0.78 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1F2
SCHEMBL12461914 0.78 ITGB3 (0.67) ITGB3ITGA2BF10PRSS1F2
SCHEMBL18720302 0.78 PRSS1 (0.60) FTOITGB3ITGA2BF12F10
SCHEMBL20008743 0.75 TMPRSS2 (0.57) F10PRSS1F2PLGST14

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 3 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
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 FTO 338/4885ITGB3 2592/4885ITGA2B 2485/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 FTO 338/4885ITGB3 2592/4885ITGA2B 2485/4885

“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.