SCHEMBL23329181

SCHEMBL23329181

C[Si](C)(C)CCOCn1ccc2c(C(=O)NC34CC5CC(CC(O)(C5)C3)C4)cc(-c3cncs3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 9/20 0.43
▸ BMPR1B O00238 1/20 0.40
▸ BMPR1A P36894 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ ACVRL1 P37023 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ CNR2 P34972 9/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CNR1 P21554 5/20 0.37

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
SCHEMBL23305459 0.93 CD38 (0.46) CD38CNR2CNR1
SCHEMBL23329330 0.89 CD38 (0.44) CD38CNR2CNR1
SCHEMBL23305211 0.83 CD38 (0.53) CD38
SCHEMBL24962688 0.83 CD38 (0.43) CD38CNR2CNR1
SCHEMBL23329200 0.81 CD38 (0.54) CD38
SCHEMBL24963434 0.81 CD38 (0.47) CD38
SCHEMBL23304846 0.80 CD38 (0.58) CD38
SCHEMBL23305076 0.80 CD38 (0.45) CD38
SCHEMBL23306488 0.80 CD38 (0.54) CD38
SCHEMBL23304645 0.79 CD38 (0.44) CD38

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 1/4885BMPR1B 4846/4885BMPR1A 4862/4885

“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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