SCHEMBL29316576

SCHEMBL29316576

CC(C)NC(=O)CN1CCC[C@H](CCCOC(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL26741504 1.00 CHRM5 (0.42) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26744000 1.00 CHRM5 (0.42) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26744127 0.96 CHRM5 (0.41) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26741500 0.96 CHRM5 (0.41) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26744128 0.96 CHRM5 (0.41) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26750619 0.94 HTT (0.45) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL29316594 0.94 HTT (0.45) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26743067 0.94 HTT (0.45) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26744140 0.93 CHRM5 (0.43) CHRM5CHRM3HTTSIGMAR1ALDH1A1
SCHEMBL26744142 0.93 CHRM5 (0.43) CHRM5CHRM3HTTSIGMAR1ALDH1A1

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 2 patents. 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
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.