Sugi Predict

Sugi Predict / Compounds / SCHEMBL20738563

SCHEMBL20738563

SCHEMBL20738563

CCn1cc2c(n1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.41
▸ NR1H2 P55055 2/20 0.41
▸ ESR2 Q92731 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ DDB1 Q16531 3/20 0.39
▸ CRBN Q96SW2 3/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SLC34A1 Q06495 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL31460333 0.89 HDAC1 (0.41) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL9918101 0.87 HDAC1 (0.40) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL28036918 0.87 HDAC1 (0.40) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL20392575 0.86 HDAC1 (0.43) HDAC1NR1H2ESR2HDAC2MAPK1
SCHEMBL28037333 0.86 NR1H2 (0.40) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL12451984 0.86 HDAC1 (0.39) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL6893628 0.86 NR1H2 (0.40) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL23372983 0.85 HDAC1 (0.46) HDAC1NR1H2ESR2HDAC2MAPK1
SCHEMBL24506914 0.85 SLC34A1 (0.46) HDAC1NR1H2ESR2MAPK1NAMPT
SCHEMBL20046155 0.84 HDAC1 (0.38) HDAC1NR1H2ESR2HDAC2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912702-B2 Substituted pyridines as inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-02-27 — — US disclosed
US-11912702-B2 Substituted pyridines as inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-02-27 — — US disclosed
EP-3664802-B1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES INC (US) 2022-02-23 — — EP disclosed
US-11225475-B2 Substituted pyridines as inhibitors of histone deacetylase ALKERMES, INC. (US) 2022-01-18 — — US disclosed
US-20210147410-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-05-20 — — US disclosed
WO-2019032528-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2019-02-14 — — WO 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 (3 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-20210147410-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC3 HDAC1 2/4885NR1H2 150/4885ESR2 1680/4885
US-11225475-B2 Substituted pyridines as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC3 HDAC1 2/4885NR1H2 482/4885ESR2 2355/4885
US-11912702-B2 Substituted pyridines as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC3 HDAC1 2/4885NR1H2 470/4885ESR2 2270/4885

“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.