SCHEMBL23802301

SCHEMBL23802301

CC(C)(C)OC(=O)N1CC(C(=O)c2ncccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.51
▸ POLB P06746 1/20 0.46
▸ USP30 Q70CQ3 2/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL7720432 0.83 GPR119 (0.52) GPR119POLBUSP30NAMPTGRM5
SCHEMBL21640139 0.79 USP30 (0.60) GPR119POLBUSP30
SCHEMBL2992043 0.79 GPR119 (0.53) GPR119POLBNR1H2NAMPTGRM5
SCHEMBL30989308 0.78 GPR119 (0.41) GPR119POLBUSP30NR1H2HPGD
SCHEMBL25205310 0.78 GPR119 (0.41) GPR119POLBUSP30NR1H2HPGD
SCHEMBL2370711 0.78 GPR119 (0.47) GPR119POLBUSP30GRM5MAPT
SCHEMBL2882463 0.78 KDM4E (0.51) GPR119USP30NAMPTRORC
SCHEMBL18228070 0.77 GPR119 (0.53) GPR119POLBNAMPTGRM5MAPT
SCHEMBL2995903 0.77 GPR119 (0.51) GPR119POLBUSP30NR1H2NAMPT
SCHEMBL4911832 0.76 LMNA (0.51) GPR119POLBUSP30NAMPT

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-20210276977-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES, INC. 2021-09-09 — — 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-20210276977-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 GPR119 1656/4885POLB 684/4885USP30 1374/4885

“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.

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