SCHEMBL29328244

SCHEMBL29328244

CNC(=O)CN1CCC(CCCOC(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.35
OPRL1 P41146 2/20 0.35
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.33
DPP4 P27487 1/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NAMPT P43490 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
SCHEMBL26750619 0.89 HTT (0.45) TSHRHSD17B10CYP3A4ALDH1A1MAPT
SCHEMBL29316594 0.89 HTT (0.45) TSHRHSD17B10CYP3A4ALDH1A1MAPT
SCHEMBL26743067 0.89 HTT (0.45) TSHRHSD17B10CYP3A4ALDH1A1MAPT
SCHEMBL29328253 0.85 ALDH1A1 (0.38) CYP3A4ALDH1A1SIGMAR1MEN1POLB
SCHEMBL26743858 0.84 SLC6A4 (0.36) ALDH1A1HTTSIGMAR1MEN1KMT2A
SCHEMBL26741504 0.82 CHRM5 (0.42) TSHRHSD17B10CYP3A4ALDH1A1CYP2C19
SCHEMBL26744000 0.82 CHRM5 (0.42) TSHRHSD17B10CYP3A4ALDH1A1CYP2C19
SCHEMBL29316576 0.82 CHRM5 (0.42) TSHRHSD17B10CYP3A4ALDH1A1CYP2C19
SCHEMBL29323594 0.81 SIGMAR1 (0.42) TSHRHSD17B10CYP3A4ALDH1A1MAPT
SCHEMBL26741473 0.81 CHRM5 (0.48) TSHRHSD17B10CYP3A4ALDH1A1CYP2C19

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 TSHR 4074/4885HSD17B10 818/4885CYP3A4 2347/4885

“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.