SCHEMBL20997203

SCHEMBL20997203

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.35
▸ NPY4R P50391 6/20 0.35
▸ NPY1R P25929 4/20 0.35
▸ NPY2R P49146 3/20 0.34
▸ NPY5R Q15761 3/20 0.34
▸ BIRC2 Q13490 2/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ CAPN1 P07384 3/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CAPN9 O14815 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSH P09668 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL22139606 0.81 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RBIRC2
SCHEMBL21532937 0.81 NPY4R (0.39) RENNPY4RNPY1RNPY2RNPY5R
SCHEMBL20997114 0.81 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RBIRC2
SCHEMBL21532917 0.70 CACNA1B (0.43) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL25100471 0.70 C3AR1 (0.44) FOLH1
SCHEMBL20997126 0.69 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5RFOLH1
SCHEMBL21152809 0.69 C3AR1 (0.35) FOLH1
SCHEMBL24469384 0.68 SIRT5 (0.34) NPY4RNPY1RNPY2RNPY5RLMNA
SCHEMBL24454059 0.68 FURIN (0.33) LMNA
SCHEMBL15499750 0.68 SIRT5 (0.34) NPY4RNPY1RNPY2RNPY5RLMNA

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 REN 2133/4885NPY4R 3873/4885NPY1R 2894/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT REN 2133/4885NPY4R 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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