SCHEMBL20997264

SCHEMBL20997264

CCC1(C(C)C)CC(=O)N(C(C)C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11925168 0.76 TSHR (0.38) CHRM2CHRM3ALDH1A1HPGDNPSR1
SCHEMBL13199770 0.71 RARA (0.31)
SCHEMBL13684330 0.71 KDM4E (0.48) NPSR1KMT2A
SCHEMBL11912105 0.70 RARA (0.40) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL21016822 0.67 ALDH1A1 (0.40) CHRM2CHRM3ALDH1A1HPGDNPSR1
SCHEMBL21016809 0.67 ALDH1A1 (0.40) CHRM2CHRM3ALDH1A1HPGDNPSR1
SCHEMBL10281244 0.66 CXCR3 (0.34) CHRM2CHRM3NPSR1
SCHEMBL20467799 0.65 GAA (0.32)
SCHEMBL10299249 0.65 MEN1 (0.36) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL13081612 0.63 TSHR (0.50) ALDH1A1NPSR1

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 CHRM2 4628/4885CHRM3 4145/4885ALDH1A1 3142/4885
US-20190144504-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT CHRM2 4628/4885CHRM3 4145/4885ALDH1A1 3142/4885

“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.