SCHEMBL1468944

SCHEMBL1468944

O=C(O)CC1CN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CCN1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 6/20 0.35
XIAP P98170 4/20 0.35
CXCR4 P61073 4/20 0.33
ADRB1 P08588 1/20 0.33
LTA4H P09960 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
PARP1 P09874 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
SCHEMBL9213719 0.81 CXCR4 (0.49) CXCR4ADRB1
SCHEMBL29811157 0.80 OPRK1 (0.31)
SCHEMBL9205301 0.79 EGLN1 (0.40)
SCHEMBL6100284 0.79 BIRC2 (0.41) BIRC2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1394889 0.77 SLC6A9 (0.42)
SCHEMBL8815561 0.76 BIRC2 (0.40) BIRC2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21427272 0.75 CXCR4 (0.55) CXCR4ADRB1
SCHEMBL7871400 0.75 ALDH1A1 (0.40)
SCHEMBL7869921 0.74 EGLN1 (0.39)
SCHEMBL20624199 0.74 EGLN1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293207-B2 Radiometal-labeled amino acid analogs, imaging and therapeutic agents incorporating the same, and methods using the same ZAVARZIN VALERY (US) 2012-10-23 US disclosed
US-20110070157-A1 RADIOMETAL-LABELED AMINO ACID ANALOGS, IMAGING AND THERAPEUTIC AGENTS INCORPORATING THE SAME, AND METHODS USING THE SAME ZAVARZIN VALERY 2011-03-24 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-20110070157-A1 RADIOMETAL-LABELED AMINO ACID ANALOGS, IMAGING AND THERAPEUTIC AGENTS INCORPORATING THE SAME, AND METHODS USING THE SAME SSTR5, SCTR, SSTR3 BIRC2 2728/4885XIAP 2163/4885CXCR4 2369/4885

“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.