SCHEMBL19703902

SCHEMBL19703902

CC(C)(C)CCCCNC(=O)NCCCCCN1C(=O)C=CC1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
DRD2 P14416 6/20 0.32
DRD4 P21917 5/20 0.32
HDAC1 Q13547 1/20 0.31
DRD3 P35462 1/20 0.31
EPHX2 P34913 2/20 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
SCHEMBL19703886 0.90 HTT (0.36) HDAC1
SCHEMBL20034700 0.81 HTT (0.35)
SCHEMBL19255837 0.81 TDP1 (0.49) DRD2
SCHEMBL19698095 0.79 OPRM1 (0.49) EPHX1OPRM1OPRD1OPRK1
SCHEMBL19698130 0.79 OPRM1 (0.49) EPHX1OPRM1OPRD1OPRK1
SCHEMBL19703563 0.79 SIGMAR1 (0.35)
SCHEMBL19698138 0.78 OPRM1 (0.50) EPHX1OPRM1OPRD1OPRK1
SCHEMBL19698143 0.75 OPRM1 (0.45) EPHX1OPRM1OPRD1OPRK1DRD2
SCHEMBL19698144 0.75 OPRM1 (0.48) EPHX1OPRM1OPRD1OPRK1DRD2
SCHEMBL19704491 0.74 PTGS1 (0.44) HDAC1EPHX2

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 EPHX1 4394/4885OPRM1 1682/4885OPRD1 2065/4885

“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.