SCHEMBL21797331

SCHEMBL21797331

COC(=O)[C@H]1C[C@](C)(O)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
APLNR P35414 1/20 0.36
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL15778053 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25858433 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6899604 0.83 APLNR (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15776462 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16249319 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23896104 0.79 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14031505 0.77 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10084365 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8213986 0.77 TP53 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9960236 0.76 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113490668-B Compounds and compositions for the treatment of diseases associated with APJ receptor activity 安娜普尔纳生物股份有限公司 2025-02-25 CN disclosed
US-12060351-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2024-08-13 US disclosed
CN-112566915-B Thiadiazole IRAK4 inhibitors 吉利德科学公司 2024-04-09 CN disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-03-31 US disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
CN-112566915-A Thiadiazole IRAK4 inhibitor 吉利德科学公司 2021-03-26 CN disclosed
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS GILEAD SCIENCES, INC. 2020-03-12 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 (8 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-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 CHRNB2 4550/4885CHRNA4 2645/4885CHRNB4 3291/4885
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 CHRNB2 4634/4885CHRNA4 3221/4885CHRNB4 3659/4885
US-12060351-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 CHRNB2 4634/4885CHRNA4 3221/4885CHRNB4 3659/4885
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CHRNB2 2126/4885CHRNA4 2888/4885CHRNB4 2990/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 CHRNB2 4550/4885CHRNA4 2645/4885CHRNB4 3291/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 CHRNB2 4634/4885CHRNA4 3221/4885CHRNB4 3659/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 CHRNB2 2126/4885CHRNA4 2888/4885CHRNB4 2990/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 CHRNB2 4634/4885CHRNA4 3221/4885CHRNB4 3659/4885

“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.