SCHEMBL490862

SCHEMBL490862

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CC(C)(N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.32
▸ PLA2G10 O15496 1/20 0.32
▸ PLA2G5 P39877 1/20 0.32
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10068385 0.83 PLA2G10 (0.31) PLA2G10PLA2G5
SCHEMBL16330283 0.81 PLA2G10 (0.30) PLA2G10PLA2G5
SCHEMBL12222183 0.80 — —
SCHEMBL12708629 0.79 — —
SCHEMBL12222273 0.79 — —
SCHEMBL15251859 0.78 SMN1; SMN2 (0.34) KMT2A
SCHEMBL3799622 0.77 PLA2G10 (0.41) CACNA1HPLA2G10PLA2G5KMT2A
SCHEMBL27147241 0.77 PLA2G10 (0.41) CACNA1HPLA2G10PLA2G5KMT2A
SCHEMBL3470166 0.77 PLA2G10 (0.41) CACNA1HPLA2G10PLA2G5KMT2A
SCHEMBL10068392 0.77 CYP4F2 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904460-B1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2012-05-16 — — EP disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 — — US disclosed
EP-1803711-B1 Process for the preparation of multidentate aza ligands able to complex metal ions BRACCO IMAGING SPA (IT) 2011-10-19 — — EP disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 — — US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 — — US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 — — US disclosed
EP-1803711-A1 Multidentate aza ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.p.A. (IT) 2007-07-04 — — EP disclosed
EP-1417183-B1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2007-05-23 — — EP disclosed
US-7186400-B2 Multidentate aza ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2007-03-06 — — US disclosed
US-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2006-02-16 — — US disclosed
US-20040156786-A1 Multidentate aza ligands able to complex metal ions and the use therof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2004-08-12 — — 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 (4 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-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy SSTR3, MB, CA13 CACNA1H 1254/4885PLA2G10 3972/4885PLA2G5 2718/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 CACNA1H 2824/4885PLA2G10 4528/4885PLA2G5 2873/4885
US-20040156786-A1 Multidentate aza ligands able to complex metal ions and the use therof in diagnostics and therapy SSTR1, SSTR3, TFRC CACNA1H 2080/4885PLA2G10 4746/4885PLA2G5 4751/4885
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy CD99, MB, HBZ CACNA1H 1062/4885PLA2G10 4838/4885PLA2G5 4608/4885

“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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