SCHEMBL29328274

SCHEMBL29328274

CC(C)NC(=O)CN1CCC(CC(F)(F)COC(C)S)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 6/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPC1 O15118 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL26744145 0.91 CHRM5 (0.45) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL29328188 0.77 CHRM5 (0.46) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL29328180 0.75 HTT (0.45) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL26741494 0.74 CHRM5 (0.50) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL26741475 0.72 CHRM5 (0.51) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL26743995 0.72 CHRM5 (0.48) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL26743071 0.72 CHRM5 (0.48) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL26743998 0.72 CHRM5 (0.48) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL26741473 0.72 CHRM5 (0.48) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL26742907 0.71 CHRM5 (0.47) CHRM5CHRM3ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 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 (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-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2A1, BCL2L1, BCL3 CHRM5 4872/4885CHRM3 4860/4885ALDH1A1 1138/4885

“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.