SCHEMBL29328161

SCHEMBL29328161

CCC(C)NC(=O)CN1CCC(CCOC(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
GAA P10253 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 3/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 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
SCHEMBL26742801 0.89 HTT (0.46) HTTGAACYP2C19SLC6A4SLC6A3
SCHEMBL26743999 0.89 HTT (0.46) HTTGAACYP2C19SLC6A4SLC6A3
SCHEMBL26804874 0.89 HTT (0.46) HTTGAACYP2C19SLC6A4SLC6A3
SCHEMBL29328262 0.84 HTR4 (0.37) HTTGAACYP2C9CYP2C19TLR9
SCHEMBL26744142 0.82 CHRM5 (0.43) HTTGAACYP2C19HPGDCHRM5
SCHEMBL26744140 0.82 CHRM5 (0.43) HTTGAACYP2C19HPGDCHRM5
SCHEMBL26750621 0.82 CHRM5 (0.43) HTTGAACYP2C19HPGDCHRM5
SCHEMBL26743067 0.81 HTT (0.45) HTTGAACYP2C19CHRM5CHRM3
SCHEMBL29316594 0.81 HTT (0.45) HTTGAACYP2C19CHRM5CHRM3
SCHEMBL26750619 0.81 HTT (0.45) HTTGAACYP2C19CHRM5CHRM3

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 HTT 889/4885GAA 597/4885CYP2C9 2113/4885

“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.