SCHEMBL20008694

SCHEMBL20008694

N=C(N)c1ccc(NC(=O)CCCC(=O)NC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.59
ITGA2B P08514 13/20 0.59
FOLH1 Q04609 2/20 0.58

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
SCHEMBL8693097 0.85 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL8906481 0.84 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL8279056 0.84 ITGB3 (0.73) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL27480576 0.83 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL13094271 0.82 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL8906274 0.81 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7304352 0.81 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL18248514 0.81 GAA (0.66) FOLH1
SCHEMBL8410379 0.81 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL20008696 0.81 ITGB3 (0.52) ITGB3ITGA2B

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 ITGB3 2592/4885ITGA2B 2485/4885FOLH1 534/4885

“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.