SCHEMBL17714023

SCHEMBL17714023

O=C(O)CN(CCN(CC(=O)O)Cc1cccc(O)c1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 11/20 0.60
▸ OPRM1 P35372 10/20 0.60
▸ OPRD1 P41143 9/20 0.60
▸ DRD2 P14416 4/20 0.47
▸ DRD3 P35462 4/20 0.47
▸ HSD17B1 P14061 4/20 0.46
▸ HSD17B2 P37059 4/20 0.46
▸ MEP1B Q16820 1/20 0.46
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL6674551 0.97 OPRK1 (0.55) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL8423257 0.92 OPRK1 (0.54) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL8421332 0.92 OPRK1 (0.56) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL2799777 0.87 TDP1 (0.52) OPRK1OPRM1OPRD1DRD3MEP1B
SCHEMBL2284795 0.85 TDP1 (0.56) DRD3MEP1B
SCHEMBL7564337 0.83 TDP1 (0.58) DRD3
SCHEMBL12243695 0.81 TDP1 (0.56) OPRK1OPRM1OPRD1DRD3MEP1B
SCHEMBL2807141 0.81 TDP1 (0.56) DRD3
SCHEMBL17714006 0.81 TSHR (0.44) OPRK1OPRM1OPRD1DRD3MEP1B
SCHEMBL7759713 0.81 MEP1B (0.51) MEP1BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420910-B2 Methods for low temperature fluorine-18 radiolabeling of biomolecules KATHOLIEKE UNIVERSITET LEUVEN (BE) 2022-08-23 — — US disclosed
EP-3212610-B1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES UNIV LEUVEN KATH (BE) 2020-10-28 — — EP disclosed
US-20180273441-A1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-09-27 — — US disclosed
EP-3212610-A2 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES Katholieke Universiteit Leuven (BE) 2017-09-06 — — EP disclosed
WO-2016065435-A2 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-05-06 — — WO 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-20180273441-A1 METHODS FOR LOW TEMPERATURE FLUORINE-18 RADIOLABELING OF BIOMOLECULES H1-3, H1-0, H1-2 OPRK1 4521/4885OPRM1 3901/4885OPRD1 4266/4885
US-11420910-B2 Methods for low temperature fluorine-18 radiolabeling of biomolecules H1-3, H1-0, H1-2 OPRK1 4521/4885OPRM1 3927/4885OPRD1 4278/4885

“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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