SCHEMBL13633986

SCHEMBL13633986

CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.58
▸ NPY5R Q15761 10/20 0.58
▸ NPY1R P25929 9/20 0.58
▸ NPY2R P49146 7/20 0.58
▸ F2 P00734 2/20 0.56
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ KISS1R Q969F8 2/20 0.51

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
SCHEMBL13634057 0.93 F2 (0.55) NPY4RNPY5RNPY1RNPY2RF2
SCHEMBL13634094 0.93 BACE1 (0.55) NPY4RNPY5RNPY1RNPY2RF2
SCHEMBL13633962 0.89 F2 (0.52) NPY4RNPY5RNPY1RNPY2RF2
SCHEMBL29611881 0.86 F2 (0.59) F2NTSR2NTSR1
SCHEMBL13781468 0.85 KISS1R (0.56) NPY4RNPY5RNPY1RNPY2RF2
SCHEMBL13638754 0.85 F2 (0.54) F2NTSR2NTSR1
SCHEMBL29425313 0.84 NTSR2 (0.62) NPY4RNPY5RNPY1RNPY2RF2
SCHEMBL29362467 0.83 NTSR2 (0.63) NPY4RNPY5RNPY1RNPY2RF2
SCHEMBL31114990 0.83 NPY4R (0.55) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL29500264 0.82 GRIN2D (0.58) F2KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304388-B2 Imaging agents GE HEALTHCARE LIMITED (GB) 2012-11-06 — — US disclosed
US-8304388-B2 Imaging agents GE HEALTHCARE LIMITED (GB) 2012-11-06 — — US disclosed
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 NPY4R 3630/4885NPY5R 3402/4885NPY1R 3482/4885

“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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