SCHEMBL19361289

SCHEMBL19361289

CCCNC(C)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 7/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ KDM4E B2RXH2 9/20 0.53
▸ TDP1 Q9NUW8 7/20 0.53
▸ MAPT P10636 7/20 0.53
▸ LMNA P02545 6/20 0.53
▸ HIF1A Q16665 6/20 0.53
▸ RECQL P46063 4/20 0.53
▸ TSHR P16473 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ MTOR P42345 3/20 0.53
▸ NFKB1 P19838 3/20 0.53
▸ BLM P54132 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ THPO P40225 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ APEX1 P27695 1/20 0.53

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
Dioxethedrin SCHEMBL249560 0.87 ADRB2 (0.58) ADRB2OPRK1SLC6A3PTGS2KDM4E
SCHEMBL13158643 0.86 TDP1 (0.51) ADRB2OPRK1SLC6A3PTGS2KDM4E
SCHEMBL10305082 0.86 TDP1 (0.51) ADRB2OPRK1SLC6A3PTGS2KDM4E
Dioxethedrin SCHEMBL365011 0.85 KDM4E (0.57) ADRB2OPRK1SLC6A3PTGS2KDM4E
SCHEMBL20122104 0.83 ADRB2 (0.66) ADRB2OPRK1SLC6A3PTGS2KDM4E
SCHEMBL11807913 0.81 ADRB1 (0.61) ADRB2OPRK1SLC6A3LMNAHIF1A
SCHEMBL9973165 0.78 MAPT (0.46) ADRB2OPRK1SLC6A3PTGS2KDM4E
Dioxifedrine SCHEMBL250137 0.78 TDP1 (0.61) ADRB2OPRK1SLC6A3PTGS2KDM4E
SCHEMBL668000 0.78 KDM4E (0.61) ADRB2OPRK1SLC6A3PTGS2KDM4E
SCHEMBL11810223 0.77 ADRB2 (0.59) ADRB2OPRK1SLC6A3LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 — — EP disclosed
EP-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 — — EP disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 — — 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ADRB2 1050/4885OPRK1 2087/4885SLC6A3 143/4885

“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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