SCHEMBL29688159

SCHEMBL29688159

CNC(=O)c1ccc(C[C@@H](CN2C(=O)c3ccccc3C2=O)NC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ APP P05067 3/20 0.37
▸ SCN9A Q15858 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ CCKAR P32238 2/20 0.36
▸ CCKBR P32239 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36

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
SCHEMBL23375885 1.00 OPRD1 (0.41) OPRD1ATMKDM4EALDH1A1HPGD
SCHEMBL29919479 0.90 ATM (0.41) ATMKDM4EALDH1A1HPGDRAB9A
SCHEMBL27087037 0.90 ATM (0.41) ATMKDM4EALDH1A1HPGDRAB9A
SCHEMBL25152784 0.90 ATM (0.41) ATMKDM4EALDH1A1HPGDRAB9A
SCHEMBL13260263 0.89 ATM (0.45) ATMKDM4EALDH1A1HPGDRAB9A
SCHEMBL23357112 0.87 OPRD1 (0.44) OPRD1KDM4EALDH1A1HPGDRAB9A
SCHEMBL23357115 0.87 OPRD1 (0.44) OPRD1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4728727 0.83 ATM (0.50) ATMAPPSCN9ACTSSCTSK
SCHEMBL683030 0.83 CTSS (0.52) ATMALDH1A1HPGDAPPSCN9A
SCHEMBL14870407 0.83 ATM (0.47) ATMALDH1A1HPGDAPPSCN9A

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
EP-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 — — EP disclosed
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 — — 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-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 OPRD1 2/4885ATM 4529/4885KDM4E 2956/4885

“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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