SCHEMBL20997215

SCHEMBL20997215

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.36
▸ NPY4R P50391 10/20 0.35
▸ NPY1R P25929 7/20 0.35
▸ NPY5R Q15761 6/20 0.35
▸ NPY2R P49146 3/20 0.35
▸ FOLH1 Q04609 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ C3AR1 Q16581 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ BIRC2 Q13490 2/20 0.32

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
SCHEMBL21532917 0.87 CACNA1B (0.43) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL22139606 0.86 NPY4R (0.39) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL20997114 0.86 NPY4R (0.39) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL20997126 0.86 NPY4R (0.37) KISS1RNPY4RNPY1RNPY5RNPY2R
SCHEMBL20997320 0.84 C3AR1 (0.34) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL25464237 0.83 DPP7 (0.39) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL19401707 0.83 DPP7 (0.39) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL19687789 0.83 DPP7 (0.39) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL19698084 0.81 C3AR1 (0.39) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL19703679 0.81 NMT2 (0.32) KISS1RNPY4RNPY1RNPY5RNPY2R

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-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2019-11-05 — — US disclosed
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-05-16 — — 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 (2 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-10464969-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase RNGTT, RNASE1, RNMT KISS1R 2930/4885NPY4R 3873/4885NPY1R 2894/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT KISS1R 2930/4885NPY4R 3873/4885NPY1R 2894/4885

“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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