SCHEMBL9906211

SCHEMBL9906211

O=C(O)CN1CCN(CC(=O)O)C(Cc2ccc(N=C=S)cc2)CN(CC(=O)O)Cc2cccc(n2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
FOLH1 Q04609 2/20 0.37
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX12 P18054 1/20 0.35
OPRD1 P41143 1/20 0.34
HSD17B10 Q99714 1/20 0.32
CHIT1 Q13231 2/20 0.31
DPP4 P27487 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL4097440 0.94 GRIN1 (0.39) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL9906197 0.94 GRIN1 (0.39) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL24828881 0.90 GRIN1 (0.37) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL19479169 0.89 GRIN1 (0.37) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL19157450 0.89 FOLH1 (0.37) FOLH1CHIT1DPP4
SCHEMBL13558125 0.87 GRIN1 (0.35) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL999924 0.86 GRIN1 (0.48) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL16925973 0.86 GRIN1 (0.48) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL5864681 0.86 GRIN1 (0.48) GRIN1GRIN2AGRIN2BFOLH1TP53
SCHEMBL1079076 0.86 GRIN1 (0.48) GRIN1GRIN2AGRIN2BFOLH1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ GRIN1 1051/4885GRIN2A 1680/4885GRIN2B 1860/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 GRIN1 931/4885GRIN2A 1593/4885GRIN2B 1747/4885

“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.