SCHEMBL26436610

SCHEMBL26436610

CN1CCC(NC(=O)[C@H](CCC2CC2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HRH2 P25021 4/20 0.46
HRH1 P35367 4/20 0.46
DRD2 P14416 4/20 0.46
CTSK P43235 5/20 0.46
CTSS P25774 3/20 0.46
SCN9A Q15858 5/20 0.44

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
SCHEMBL5351867 0.83 HDAC4 (0.47) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL12025753 0.83 CTSK (0.46) CTSKCTSSSCN9A
SCHEMBL12025751 0.81 ITGB3 (0.45) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL12025778 0.81 ITGB3 (0.45) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL3054407 0.81 SCN9A (0.64) CTSKCTSSSCN9A
SCHEMBL30832118 0.80 HRH2 (0.53) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL5351866 0.79 HDAC4 (0.51) HDAC4HDAC1HDAC6HRH2HRH1
SCHEMBL21169918 0.77 CTSS (0.52) HRH2HRH1DRD2CTSKCTSS
SCHEMBL25381677 0.76 CTSS (0.56) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL19066733 0.76 CTSS (0.56) HDAC4HDAC1HDAC6CTSKCTSS

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-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L HDAC4 237/4885HDAC1 38/4885HDAC6 111/4885

“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.