SCHEMBL25877186

SCHEMBL25877186

CCCC(CC(N)=O)OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ FAAH O00519 2/20 0.37
▸ PSMB5 P28074 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ CCKAR P32238 2/20 0.36
▸ CCKBR P32239 2/20 0.36
▸ PTPN1 P18031 1/20 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
SCHEMBL25877071 0.89 AKT1 (0.44) AKT1OPRM1OPRD1PSMB5
SCHEMBL25877257 0.89 AKT1 (0.44) AKT1OPRM1OPRD1PSMB5
SCHEMBL25877236 0.89 AKT1 (0.44) AKT1OPRM1OPRD1PSMB5
SCHEMBL20041046 0.86 AKT1 (0.45) AKT1OPRM1OPRD1CHRNB2CHRNB4
SCHEMBL20345224 0.86 AKT1 (0.45) AKT1OPRM1OPRD1CHRNB2CHRNB4
SCHEMBL22757219 0.85 AKT1 (0.47) AKT1OPRM1OPRD1
SCHEMBL26348504 0.85 AKT1 (0.45) AKT1OPRM1OPRD1PSMB5
SCHEMBL25877172 0.85 AKT1 (0.43) AKT1CCKARCCKBR
SCHEMBL26503041 0.84 AKT1 (0.47) AKT1OPRM1OPRD1FAAHPSMB5
SCHEMBL16983229 0.84 AKT1 (0.47) AKT1OPRM1OPRD1CHRNB2CHRNB4

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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 — — 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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL AKT1 2403/4885OPRM1 319/4885OPRD1 2192/4885

“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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