SCHEMBL18218809

SCHEMBL18218809

CCCC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 4/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ YAP1 P46937 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ HDAC6 Q9UBN7 4/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL18207164 0.90 KDM4E (0.35) —
SCHEMBL18207163 0.90 KDM4E (0.35) —
SCHEMBL31482347 0.89 KLK7 (0.35) CPB2
SCHEMBL3745036 0.89 KLK7 (0.35) CPB2
SCHEMBL3745041 0.89 KLK7 (0.35) CPB2
SCHEMBL25717615 0.84 KLK7 (0.35) —
SCHEMBL18218810 0.83 CPB2 (0.45) CPB2CPB1YAP1ITGB3ITGA2B
SCHEMBL18206072 0.82 KDM4E (0.35) CPB2CPB1
SCHEMBL31001585 0.81 CPB2 (0.31) CPB2CPB1
SCHEMBL18218825 0.76 HDAC6 (0.34) HDAC6HDAC1ITGB3ITGA2B

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-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 — — US disclosed
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 — — US disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 — — 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 (3 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-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CPB2 1461/4885CPB1 1533/4885YAP1 3870/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CPB2 1461/4885CPB1 1533/4885YAP1 3870/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 CPB2 1461/4885CPB1 1533/4885YAP1 3870/4885

“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.

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