SCHEMBL29328188

SCHEMBL29328188

CC(C)NC(=O)CN1CCC(CCC(C)OC(C)S)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 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
SCHEMBL26743998 0.90 CHRM5 (0.48) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL26743071 0.90 CHRM5 (0.48) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL26743995 0.90 CHRM5 (0.48) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL29328199 0.86 CHRM5 (0.49) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL29324283 0.86 CHRM5 (0.49) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL26741475 0.78 CHRM5 (0.51) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL29328180 0.78 HTT (0.45) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL29328274 0.77 CHRM5 (0.43) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL26744518 0.76 CHRM5 (0.50) CHRM5CHRM3HTTALDH1A1KDM4E
SCHEMBL26741494 0.76 CHRM5 (0.50) CHRM5CHRM3HTTALDH1A1KDM4E

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 4860/4885HTT 889/4885

“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.