SCHEMBL22014461

SCHEMBL22014461

C[C@H](O)CN1CCN(CCCS(=O)(=O)O)CCN(C[C@H](C)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
SLC6A3 Q01959 3/20 0.39
DRD4 P21917 2/20 0.39
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28888490 0.89 DRD2 (0.40) DRD2DRD3SLC6A3DRD4
SCHEMBL671899 0.83 APP (0.44) TP53SMN1; SMN2
SCHEMBL28615816 0.83 TP53 (0.36) DRD2DRD4TP53SMN1; SMN2
Ammonia Solution, Strong SCHEMBL9295903 0.81 APP (0.42) TP53SMN1; SMN2
Sulfuric Acid SCHEMBL28066027 0.81 PIK3CD (0.42) DRD2DRD3SLC6A3DRD4
SCHEMBL4352917 0.80 PAOX (0.48) TP53
Sulfuric Acid SCHEMBL3975431 0.79 LMNA (0.49) DRD2DRD3SLC6A3DRD4
SCHEMBL8742874 0.78 KDM4E (0.39)
SCHEMBL4022137 0.77 APP (0.42) DRD2DRD3
SCHEMBL17493164 0.76 MEN1 (0.46) DRD2DRD3SLC6A3DRD4SMN1; SMN2

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
WO-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
WO-2020102820-A1 COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-05-22 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 (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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 DRD2 1271/4885DRD3 1028/4885SLC6A3 33/4885

“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.