SCHEMBL29316458

SCHEMBL29316458

CC(C)OCCCN1CCN(CCC2CCN(C(C)C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.37
VCP P55072 1/20 0.36
HRH3 Q9Y5N1 6/20 0.36
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL26742225 0.91 KDM1A (0.36) NPY1RVCPHRH3SLC6A4SLC6A3
SCHEMBL26742218 0.88 HRH1 (0.39) NPY1RHRH3SLC6A4MAOBMAOA
SCHEMBL26742221 0.88 HRH3 (0.37) HRH3SLC6A4SLC6A3
SCHEMBL26706166 0.85 CYP2D6 (0.36) NPY1RVCPHRH3SLC6A4SLC6A3
SCHEMBL26753580 0.85 SLC6A4 (0.39) NPY1RHRH3SLC6A4SLC6A3
SCHEMBL12448061 0.84 HRH3 (0.40) NPY1RHRH3
SCHEMBL12448063 0.84 MAOB (0.43) HRH3SLC6A4MAOBMAOA
SCHEMBL26752141 0.84 HRH1 (0.38) HRH3SLC6A4MAOBMAOA
SCHEMBL26743216 0.83 HRH3 (0.45) HRH3SLC6A4SLC6A3
SCHEMBL20046477 0.82 VCP (0.44) VCPHRH3MAOB

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 NPY1R 2559/4885VCP 1882/4885HRH3 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.