SCHEMBL19704576

SCHEMBL19704576

CC(C)C1CCN(C(=O)NCCCCN2C(=O)C=CC2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PTGS1 P23219 7/20 0.38
PTGS2 P35354 7/20 0.38
MGLL Q99685 4/20 0.38
FAAH O00519 3/20 0.38
NAMPT P43490 3/20 0.38
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL20034917 0.99 PTGS1 (0.40) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL20034735 0.93 PTGS1 (0.40) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL20034933 0.89 MGLL (0.42) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL19698203 0.84 MGLL (0.40) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL19698197 0.84 MGLL (0.40) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL17739962 0.84 MGLL (0.40) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL19704327 0.84 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHNAMPT
SCHEMBL17739958 0.83 MGLL (0.41) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL19698210 0.83 MGLL (0.41) OPRM1OPRD1OPRK1PTGS1PTGS2
SCHEMBL17739914 0.83 MGLL (0.41) OPRM1OPRD1OPRK1PTGS1PTGS2

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 OPRM1 1682/4885OPRD1 2065/4885OPRK1 1620/4885

“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.