SCHEMBL16589746

SCHEMBL16589746

CC(C)(C)C(=O)NC(CCCNC(=N)N)C(=O)NCCN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ NPY4R P50391 10/20 0.37
▸ NPY1R P25929 7/20 0.37
▸ NPY5R Q15761 6/20 0.37
▸ NPY2R P49146 3/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ NMT2 O60551 2/20 0.36
▸ NMT1 P30419 2/20 0.36
▸ DPP7 Q9UHL4 1/20 0.35
▸ RRM1 P23921 1/20 0.34

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
SCHEMBL16589718 0.86 GRIA1 (0.38) GRIA1SIRT6SIRT1NPY4RNPY1R
SCHEMBL16589724 0.85 SIRT6 (0.55) GRIA1SIRT6SIRT1MMP1MMP3
SCHEMBL1724846 0.83 FOLH1 (0.40) GRIA1NPY4RNPY1RNPY5RNPY2R
SCHEMBL4552682 0.83 FOLH1 (0.40) GRIA1NPY4RNPY1RNPY5RNPY2R
SCHEMBL16263587 0.82 SIRT6 (0.42) SIRT6SIRT1NPY4RNPY1RNPY5R
SCHEMBL18464241 0.81 NPY4R (0.42) GRIA1NPY4RNPY1RNPY5RNPY2R
SCHEMBL16589745 0.81 GRIA1 (0.43) GRIA1SIRT6SIRT1MMP1MMP3
SCHEMBL16260140 0.80 SIRT6 (0.40) SIRT6SIRT1NPY4RNPY1RNPY5R
SCHEMBL29447204 0.79 NPY4R (0.50) SIRT6SIRT1NPY4RNPY1RNPY5R
SCHEMBL16589748 0.78 CCKBR (0.45) GRIA1SIRT6SIRT1

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-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA GMBH (DE) 2015-03-26 — — US disclosed
US-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA GMBH (DE) 2015-03-26 — — 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-20150087688-A1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ABCB1, CYP2D6, LDHA GRIA1 3272/4885SIRT6 1290/4885SIRT1 789/4885

“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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