SCHEMBL23274580

SCHEMBL23274580

CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)CCC1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.57
▸ GAA P10253 1/20 0.46
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KDM1A O60341 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ CTSK P43235 2/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL29218668 1.00 BTK (0.57) BTKGAANFKB1NFKB2RELA
SCHEMBL29218665 1.00 BTK (0.57) BTKGAANFKB1NFKB2RELA
SCHEMBL31008916 0.87 GAA (0.45) BTKGAANFKB1NFKB2RELA
SCHEMBL28537514 0.87 BTK (0.54) BTKGAANFKB1NFKB2RELA
SCHEMBL28540918 0.87 BTK (0.54) BTKGAANFKB1NFKB2RELA
SCHEMBL2771992 0.83 GAA (0.54) BTKGAANFKB1NFKB2RELA
SCHEMBL3621203 0.83 GAA (0.54) BTKGAANFKB1NFKB2RELA
SCHEMBL30279188 0.83 ALDH1A1 (0.46) BTKGAANFKB1NFKB2RELA
SCHEMBL28803526 0.83 ALDH1A1 (0.46) BTKGAANFKB1NFKB2RELA
SCHEMBL30596812 0.80 BTK (0.47) BTKGAANFKB1NFKB2RELA

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-20230107230-A1 FLUORINE SUBSTITUTED CYCLOHEXENE ANALOGUES OF GAMMA- AMINOBUTYRIC ACID (GABA) NORTHWESTERN UNIVERSITY 2023-04-06 — — US disclosed
WO-2021081523-A1 FLUORINE SUBSTITUTED CECLOHEXENE ANALOGOUES OF GAMMA-AMINOBUTYRIC ACID (GABA) NORTHWESTERN UNIVERSITY (US) 2021-04-29 — — 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 (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-20230107230-A1 FLUORINE SUBSTITUTED CYCLOHEXENE ANALOGUES OF GAMMA- AMINOBUTYRIC ACID (GABA) OAT, GABBR1, SLC1A2 BTK 4603/4885GAA 51/4885NFKB1 2935/4885

“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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