SCHEMBL23329197

SCHEMBL23329197

C[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2cncs2)cc2c1ccn2COCC[Si](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 15/20 0.51
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRIN2B Q13224 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
SCHEMBL23305001 0.91 CD38 (0.58) CD38TSHRKDM4E
SCHEMBL23329431 0.87 CD38 (0.60) CD38
SCHEMBL23304846 0.87 CD38 (0.58) CD38
SCHEMBL23329200 0.86 CD38 (0.54) CD38
SCHEMBL23306488 0.86 CD38 (0.54) CD38GRIN2B
SCHEMBL23306266 0.85 CD38 (0.56) CD38
SCHEMBL23306265 0.85 CD38 (0.56) CD38
SCHEMBL23305211 0.84 CD38 (0.53) CD38
SCHEMBL23329182 0.84 CD38 (0.57) CD38
SCHEMBL23304645 0.82 CD38 (0.44) CD38GRIN2B

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-20230025807-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-01-26 — — US disclosed
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 — — 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-20230025807-A1 CD38 INHIBITORS CD38, GLS, IDH2 CD38 1/4885ALDH1A1 140/4885TSHR 2701/4885

“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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