SCHEMBL26089712

SCHEMBL26089712

CN(C)Cc1cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
GRM2 Q14416 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 1/20 0.34
CPB2 Q96IY4 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGER2 P43116 1/20 0.33
GBA1 P04062 1/20 0.33
CNR2 P34972 1/20 0.33
SSTR4 P31391 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 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
SCHEMBL26086914 0.88 GRM2 (0.39) HTR2CSLC6A4GRM2PAX8NPSR1
SCHEMBL26089961 0.88 GRM2 (0.36) HTR2CSLC6A4GRM2PAX8NPSR1
SCHEMBL29845513 0.87 AKT1 (0.36) HTR2CSLC6A4GRM2PAX8NPSR1
SCHEMBL23449924 0.87 AKT1 (0.36) HTR2CSLC6A4GRM2PAX8NPSR1
SCHEMBL946471 0.78 HTR2C (0.46) HTR2CSLC6A4PAX8NPSR1CACNA1G
SCHEMBL522953 0.75 ALDH1A1 (0.44) TSHRNPSR1GRIN2DGRIN3BGRIN1
SCHEMBL3511518 0.74 HTR2C (0.45) HTR2CSLC6A4PAX8CACNA1GCACNA1B
SCHEMBL30912531 0.74 HTR2C (0.45) HTR2CSLC6A4PAX8CPB2CACNA1G
SCHEMBL13656744 0.73 NR1D1 (0.40) TSHRGRM2BRD4HDAC1
SCHEMBL8331293 0.71 MEN1 (0.41) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
EP-4066896-A1 G9A INHIBITOR RIKEN (JP) 2022-10-05 EP 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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L TSHR 4426/4885HTR2C 4037/4885SLC6A4 2976/4885

“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.