SCHEMBL13781456

SCHEMBL13781456

CC(C)C[C@H](NC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@H](C=O)[C@@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.44
▸ CTSD P07339 1/20 0.41
▸ BACE2 Q9Y5Z0 4/20 0.41
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL13634029 0.92 BACE1 (0.50) BACE1CTSDBACE2
SCHEMBL13634028 0.78 TFPI (0.53) BACE1BACE2PTPN1
SCHEMBL14344621 0.75 BACE1 (0.39) BACE1CTSDBACE2NPY1RNPY2R
SCHEMBL30350026 0.73 KISS1R (0.56) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL30512662 0.72 NPY4R (0.62) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL13781455 0.70 TFPI (0.53) BACE1BACE2PTPN1
SCHEMBL29520890 0.70 BACE1 (0.57) BACE1CTSDBACE2NPY1RNPY2R
SCHEMBL13634040 0.69 TFPI (0.56) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL30633119 0.69 BACE1 (0.61) BACE1CTSDBACE2NPY1RNPY2R
SCHEMBL29641709 0.69 FOLH1 (0.52) NPY1RNPY2RNPY4R

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-20090191123-A1 NOVEL IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-07-30 — — US disclosed
US-20090191123-A1 NOVEL IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-07-30 — — 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-20090191123-A1 NOVEL IMAGING AGENTS MMP1, CD68, KIT BACE1 4028/4885CTSD 753/4885BACE2 3710/4885

“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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