SCHEMBL23583246

SCHEMBL23583246

CC(C)N1C2CC1CN(C(=O)N1CCN(C)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.41
KCNH2 Q12809 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.37
LIPE Q05469 1/20 0.36
HTR1A P08908 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL26140596 0.88 HRH3 (0.53) HRH3KCNH2CYP2D6
SCHEMBL21738162 0.83 HRH3 (0.38) HRH3KCNH2CYP2D6CYP1A2
SCHEMBL26139029 0.83 HRH3 (0.44) HRH3KCNH2CYP2D6SIGMAR1
SCHEMBL21738164 0.81 MEN1 (0.41) HRH3KCNH2CYP2D6TDP1
SCHEMBL23583248 0.80 HRH3 (0.41) HRH3KCNH2CYP2D6
SCHEMBL26139054 0.79 HRH3 (0.49) HRH3KCNH2CYP2D6EPHX2
SCHEMBL26139052 0.78 HRH3 (0.40) HRH3KCNH2CYP2D6NPSR1
SCHEMBL25858704 0.78 HRH3 (0.48) HRH3HSD11B1
SCHEMBL25862987 0.77 HTR1A (0.40) CYP1A2TDP1HSD11B1HTR1ASIGMAR1
SCHEMBL21846687 0.76 ALDH1A1 (0.43) HRH3KCNH2CYP2D6HSD11B1

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 3 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

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 870/4885KCNH2 4282/4885CYP2D6 2635/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 932/4885KCNH2 4350/4885CYP2D6 2809/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 HRH3 932/4885KCNH2 4350/4885CYP2D6 2809/4885

“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.