SCHEMBL21738149

SCHEMBL21738149

CC(C)N1C2CC1CN(C(=O)C1CN(C)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
CHRNB2 P17787 10/20 0.35
CHRNA3 P32297 10/20 0.35
CHRNA4 P43681 10/20 0.35
CHRNB3 Q05901 6/20 0.35
CHRNA6 Q15825 6/20 0.35
CHRNB4 P30926 4/20 0.33
CHRNA7 P36544 4/20 0.33
HSD11B1 P28845 3/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
TYRO3 Q06418 1/20 0.30

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
SCHEMBL25858704 0.87 HRH3 (0.48) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL26139057 0.81 ATM (0.38) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20071156 0.78
SCHEMBL21846690 0.78 HRH3 (0.47) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25135432 0.77 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26139061 0.77 HRH3 (0.45) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL23583246 0.76 HRH3 (0.41) HRH3HSD11B1
SCHEMBL24671074 0.76 CHRNB2 (0.38) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25135430 0.76 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21738148 0.75 HRH3 (0.43) HRH3CHRNB2CHRNA3CHRNA4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
WO-2020036986-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 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 (3 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 HRH3 870/4885CHRNB2 4550/4885CHRNA3 3988/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 932/4885CHRNB2 4634/4885CHRNA3 4268/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 932/4885CHRNB2 4634/4885CHRNA3 4268/4885

“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.