SCHEMBL29329172

SCHEMBL29329172

COc1ccc(CCCCN2CCN(C(C)C)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
DRD2 P14416 2/20 0.55
HRH3 Q9Y5N1 2/20 0.55
HTR2B P41595 1/20 0.53
KCNA3 P22001 1/20 0.51
SLC6A4 P31645 1/20 0.51
GRM2 Q14416 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL29329296 0.90 SIGMAR1 (0.78) SIGMAR1HRH3KCNJ1KCNH2
SCHEMBL29343050 0.83 SIGMAR1 (0.63) SIGMAR1DRD2HRH3HTR2BKCNA3
SCHEMBL18756761 0.82 SIGMAR1 (0.71) SIGMAR1
SCHEMBL30417282 0.81 HRH3 (0.73) SIGMAR1HRH3SLC6A4
SCHEMBL19043339 0.81 HRH3 (0.73) SIGMAR1HRH3SLC6A4
SCHEMBL8092283 0.81 HRH3 (0.73) SIGMAR1HRH3SLC6A4
SCHEMBL30671735 0.81 SIGMAR1 (0.69) SIGMAR1
SCHEMBL18704975 0.80 SIGMAR1 (0.68) SIGMAR1HRH3
SCHEMBL8111284 0.79 HRH3 (0.81) SIGMAR1DRD2HRH3SLC6A4
SCHEMBL29283196 0.78 SIGMAR1 (0.59) SIGMAR1DRD2HRH3HTR2BGRM2

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 3279/4885DRD2 2642/4885HRH3 4026/4885

“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.