SCHEMBL29330274

SCHEMBL29330274

CCCC(C)OCCCC1CCN(CCN2CCC(C(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
GNAO1 P09471 1/20 0.36
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
DRD2 P14416 2/20 0.32
CHRM3 P20309 2/20 0.32
DRD4 P21917 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
HRH1 P35367 1/20 0.32
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31
SLC6A2 P23975 3/20 0.31

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
SCHEMBL26747096 0.87 HRH3 (0.39) HRH3GNAO1CYP2D6CHRM1CHRM2
SCHEMBL29330279 0.81 POLB (0.39) HRH3GNAO1CYP2D6
SCHEMBL26741830 0.79 HRH3 (0.48) HRH3GNAO1CHRM1CHRM2CHRM4
SCHEMBL26747091 0.78 SLC6A4 (0.37) HRH3SLC6A4SLC6A3SLC6A2
SCHEMBL26744954 0.77 HRH3 (0.39) HRH3GNAO1CYP2D6SLC6A4SLC6A3
SCHEMBL26743216 0.76 HRH3 (0.45) HRH3GNAO1CYP2D6SLC6A4SLC6A3
SCHEMBL26744662 0.76 NPY1R (0.37) HRH3GNAO1CYP2D6CHRM4SLC6A4
SCHEMBL29324792 0.76 CYP2D6 (0.38) HRH3GNAO1CYP2D6SLC6A4SLC6A3
SCHEMBL22890953 0.75 GNAI3 (0.34) HRH3GNAO1HRH1
SCHEMBL29329914 0.75 GNAO1 (0.39) HRH3GNAO1CYP2D6CHRM1CHRM2

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 HRH3 4026/4885GNAO1 1574/4885CYP2D6 1324/4885

“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.