SCHEMBL29324576

SCHEMBL29324576

CCC(C)NC(=O)CN1CCC(CCCCC(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GAA P10253 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ITGB3 P05106 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
SCHEMBL26744518 0.88 CHRM5 (0.50) SIGMAR1CHRM5CHRM3GAACYP2C19
SCHEMBL29328262 0.79 HTR4 (0.37) CHRM5CHRM3TLR9TLR8TLR7
SCHEMBL29328161 0.75 HTT (0.37) SIGMAR1CHRM5CHRM3TLR9TLR8
SCHEMBL29342747 0.75 SIGMAR1 (0.32) SIGMAR1CHRM5CHRM3HTT
SCHEMBL29953408 0.74 CHRM5 (0.42) SIGMAR1CHRM5CHRM3TLR9TLR8
SCHEMBL24739915 0.74 SIGMAR1 (0.55) SIGMAR1CHRM5CHRM3GAACYP2C19
SCHEMBL22526530 0.74 HRH3 (0.39) ALDH1A1MAPTEPHX1
SCHEMBL26741587 0.74 SIGMAR1 (0.32) SIGMAR1CHRM5CHRM3HTT
SCHEMBL7398353 0.73 GAA (0.45) CHRM5CHRM3GAACYP2C19CYP2C9
SCHEMBL29322471 0.73 CHRM5 (0.48) SIGMAR1CHRM5CHRM3GAACYP2C19

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 SIGMAR1 3279/4885CHRM5 4872/4885CHRM3 4860/4885

“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.