SCHEMBL9906197

SCHEMBL9906197

O=C(O)CN1CCN(CC(=O)O)CC(Cc2ccc(N=C=S)cc2)N(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
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
FOLH1 Q04609 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 1.00 GRIN1 (0.39) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL24828881 0.96 GRIN1 (0.37) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL9906211 0.94 GRIN1 (0.39) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL19479169 0.92 GRIN1 (0.37) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL23476607 0.90 FOLH1 (0.35) FOLH1CHIT1DPP4
SCHEMBL13558099 0.88 GRIN1 (0.35) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL15982269 0.87 GRIN1 (0.35) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL13558148 0.86 GRIN1 (0.39) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL19448807 0.86 GRIN1 (0.40) GRIN1GRIN2AGRIN2BTP53CYP1A2
SCHEMBL16644695 0.84 CHIT1 (0.37) FOLH1CHIT1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165987-A1 PRECURSOR MARKERS AND RADIOTRACERS WITH THREE OR MORE TARGETING VECTORS FOR THERANOSTICS USED IN NUCLEAR MEDICINE Atoms for Cure GmbH (DE) 2023-09-07 WO disclosed
US-20230256121-A1 DOTA-HAPTEN COMPOSITIONS FOR ANTI-DOTA/ANTI-TUMOR ANTIGEN BISPECIFIC ANTIBODY PRETARGETED RADIOIMMUNOTHERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-08-17 US disclosed
WO-2023118195-A1 FAP-TARGETING PHARMACEUTICAL PRODUCT FOR THERAPY AND DIAGNOSIS OF CANCERS Atoms for Cure GmbH (DE) 2023-06-29 WO disclosed
US-11541133-B2 Treatment of cancer cells overexpressing somatostatin receptors using ocreotide derivatives chelated to radioisotopes RADIOMEDIXINC. (US) 2023-01-03 US disclosed
US-20220409751-A1 Urokinase Plasminogen Activator Receptor-Targeted Radiopharmaceutical NorthStar Medical Technologies, LLC (US) 2022-12-29 US disclosed
US-20220401856-A1 CHROMATOGRAPHIC SEPARATION OF METALS USING DOTA-BASED CHELATORS NRG PALLAS B.V. (NL) 2022-12-22 US disclosed
WO-2022258637-A1 TRISLINKER-CONJUGATED DIMERIC LABELLING PRECURSORS AND RADIOTRACERS DERIVED THEREFROM Atoms for Cure GmbH (DE) 2022-12-15 WO disclosed
US-20220024882-A1 NOVEL TUMOR ANTIGEN BINDING AGENTS AND USES THEREOF LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2022-01-27 US disclosed
WO-2022005998-A1 DOTA-HAPTEN COMPOSITIONS FOR ANTI-DOTA/ANTI-TUMOR ANTIGEN BISPECIFIC ANTIBODY PRETARGETED RADIOIMMUNOTHERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-01-06 WO disclosed
US-20210009715-A1 NOVEL PSMA-BINDING AGENTS AND USES THEREOF LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2021-01-14 US disclosed
WO-2018132751-A1 TREATMENT OF CANCER CELLS OVEREXPRESSING SOMATOSTATIN RECEPTORS USING OCREOTIDE DERIVATIVES CHELATED TO RADIOISOTOPES RADIOMEDIX INC. (US) 2018-07-19 WO disclosed
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 (8 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-20210009715-A1 NOVEL PSMA-BINDING AGENTS AND USES THEREOF FOLH1, PSMA3, PSMA2 GRIN1 3307/4885GRIN2A 3482/4885GRIN2B 2703/4885
US-20220409751-A1 Urokinase Plasminogen Activator Receptor-Targeted Radiopharmaceutical PLAUR, F2R, PROKR1 GRIN1 2788/4885GRIN2A 3844/4885GRIN2B 2167/4885
US-11541133-B2 Treatment of cancer cells overexpressing somatostatin receptors using ocreotide derivatives chelated to radioisotopes SSTR1, SSTR2, SSTR5 GRIN1 4068/4885GRIN2A 3795/4885GRIN2B 3297/4885
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ GRIN1 1051/4885GRIN2A 1680/4885GRIN2B 1860/4885
US-20220024882-A1 NOVEL TUMOR ANTIGEN BINDING AGENTS AND USES THEREOF CD74, MICA, CD2BP2 GRIN1 3135/4885GRIN2A 3914/4885GRIN2B 3341/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 GRIN1 931/4885GRIN2A 1593/4885GRIN2B 1747/4885
US-20230256121-A1 DOTA-HAPTEN COMPOSITIONS FOR ANTI-DOTA/ANTI-TUMOR ANTIGEN BISPECIFIC ANTIBODY PRETARGETED RADIOIMMUNOTHERAPY CD47, HLA-B, HLA-C GRIN1 4054/4885GRIN2A 3688/4885GRIN2B 3102/4885
US-20220401856-A1 CHROMATOGRAPHIC SEPARATION OF METALS USING DOTA-BASED CHELATORS CCKBR, TBCB, ABCB7 GRIN1 4196/4885GRIN2A 3648/4885GRIN2B 761/4885

“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.