SCHEMBL18916659

SCHEMBL18916659

CC(=O)NC(CCCCN)C(=O)NC(C)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.57
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ TLR2 O60603 2/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ CPA2 P48052 1/20 0.46
▸ CPA4 Q9UI42 1/20 0.46
▸ FURIN P09958 6/20 0.45
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ GNPAT O15228 1/20 0.41

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
SCHEMBL29394605 0.89 SIRT6 (0.56) SIRT6SIRT1CA1CA2TLR2
SCHEMBL29396101 0.88 SIRT6 (0.55) SIRT6SIRT1CA1CA2TLR2
SCHEMBL10609149 0.86 SIRT6 (0.53) SIRT6SIRT1CA1CA2TLR2
SCHEMBL18916662 0.86 SIRT6 (0.57) SIRT6SIRT1CA1CA2TLR2
SCHEMBL30598012 0.86 SIRT6 (0.53) SIRT6SIRT1CA1CA2TLR2
SCHEMBL29398096 0.85 GNPAT (0.53) SIRT6SIRT1CPA1CPA2CPA4
D-Alanine SCHEMBL5702807 0.85 SIRT6 (0.52) SIRT6SIRT1CA1CA2TLR2
SCHEMBL10888019 0.84 SIRT6 (0.51) SIRT6SIRT1CA1CA2TLR2
SCHEMBL17787396 0.83 NMT2 (0.52) SIRT6SIRT1CA1CA2TLR2
SCHEMBL12749404 0.83 SIRT6 (0.58) SIRT6SIRT1CA1CA2TLR2

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-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 — — 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-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 SIRT6 2079/4885SIRT1 1554/4885CA1 1800/4885

“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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