SCHEMBL29329296

SCHEMBL29329296

COc1ccc(CCN2CCN(C(C)C)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.78
HRH3 Q9Y5N1 1/20 0.69
KCNJ1 P48048 1/20 0.59
KCNH2 Q12809 1/20 0.59
ADRA1D P25100 2/20 0.57
ADRA1A P35348 2/20 0.57
ADRA1B P35368 2/20 0.57
SMPD1 P17405 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56

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
SCHEMBL29329172 0.90 SIGMAR1 (0.62) SIGMAR1HRH3KCNJ1KCNH2
SCHEMBL18704975 0.84 SIGMAR1 (0.68) SIGMAR1HRH3
SCHEMBL29324731 0.82 SIGMAR1 (0.86) SIGMAR1HRH3KCNJ1KCNH2ADRA1D
SCHEMBL13150788 0.82 SIGMAR1 (0.88) SIGMAR1HRH3KCNJ1KCNH2SMPD1
SCHEMBL29356024 0.82 HRH3 (1.00) SIGMAR1HRH3KCNJ1KCNH2SMPD1
SCHEMBL18704972 0.81 L3MBTL1 (0.52) SIGMAR1HRH3KCNJ1KCNH2ADRA1D
SCHEMBL11156977 0.80 HRH3 (0.96) SIGMAR1HRH3KCNJ1KCNH2SMPD1
SCHEMBL10042373 0.80 SLC6A3 (0.61) SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL22186860 0.79 SMPD1 (0.68) SIGMAR1HRH3KCNJ1KCNH2ADRA1D
SCHEMBL29343050 0.79 SIGMAR1 (0.63) SIGMAR1HRH3

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 3279/4885HRH3 4026/4885KCNJ1 4183/4885

“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.