SCHEMBL18220952

SCHEMBL18220952

CC(C)(C)OC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TDP1 Q9NUW8 8/20 0.36
▸ ATM Q13315 2/20 0.36
▸ NPSR1 Q6W5P4 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CCKBR P32239 1/20 0.34

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
SCHEMBL18218825 0.85 HDAC6 (0.34) MEN1KMT2A
SCHEMBL18206072 0.83 KDM4E (0.35) POLBKDM4ETDP1ATMNPSR1
SCHEMBL18207163 0.83 KDM4E (0.35) POLBKDM4ETDP1ATMNPSR1
SCHEMBL18207164 0.83 KDM4E (0.35) POLBKDM4ETDP1ATMNPSR1
SCHEMBL30718117 0.83 ACE (0.47) POLBKDM4ETDP1ATMNPSR1
SCHEMBL31270971 0.76 KLK5 (0.42) POLBKDM4ETDP1ATMNPSR1
SCHEMBL31094599 0.76 SCN9A (0.35) CCKBR
SCHEMBL6942067 0.74 MAPT (0.43) POLBTDP1ATMNPSR1MEN1
SCHEMBL5873703 0.74 — —
SCHEMBL2853525 0.74 MAPT (0.45) POLBKDM4ETDP1ATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226456-B2 Methods and compositions for preventing opioid abuse 3ST RESEARCH LLC (US) 2019-03-12 — — 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 (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-10226456-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 POLB 1797/4885KDM4E 2266/4885TDP1 3101/4885
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 POLB 1797/4885KDM4E 2266/4885TDP1 3101/4885

“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.

Send feedback