SCHEMBL19703576

SCHEMBL19703576

CC1CN(C(=O)CCOCCOCCOCCOCCn2cc(CN3C(=O)C=CC3=O)nn2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
IL2 P60568 1/20 0.36
DRD2 P14416 6/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
MGLL Q99685 1/20 0.35
DGAT1 O75907 5/20 0.34
FOLH1 Q04609 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BRD4 O60885 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
EP300 Q09472 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
SCHEMBL17739915 0.92 TTR (0.36) TTRIL2DRD2DRD4DRD3
SCHEMBL17739959 0.92 TTR (0.36) TTRIL2DRD2DRD4DRD3
SCHEMBL19703717 0.92 TTR (0.36) TTRIL2DRD2DRD4DRD3
SCHEMBL19703693 0.90 ALDH1A1 (0.39) TTRIL2DRD2DRD4DRD3
SCHEMBL19703595 0.89 TTR (0.34) TTRIL2DRD2DRD4DRD3
SCHEMBL19698200 0.87 TTR (0.35) TTRIL2DRD2DRD4DRD3
SCHEMBL19698213 0.87 TTR (0.35) TTRIL2DRD2DRD4DRD3
SCHEMBL17739997 0.87 HRH4 (0.40) TTRIL2DRD2DRD4DRD3
SCHEMBL19703961 0.87 DRD2 (0.35) TTRIL2DRD2DRD4DRD3
SCHEMBL19703577 0.85 TTR (0.43) TTRIL2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT TTR 2493/4885IL2 1226/4885DRD2 3503/4885

“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.