SCHEMBL30186207

SCHEMBL30186207

c1ccc2cc(OCCN3CCCCC3)ccc2c1

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.81
DRD3 P35462 1/20 0.64
BACE1 P56817 1/20 0.64
SLC6A2 P23975 3/20 0.63
SLC6A4 P31645 3/20 0.63
LTA4H P09960 7/20 0.62
MAOB P27338 1/20 0.60
PDGFRB P09619 1/20 0.60
PDGFRA P16234 1/20 0.60

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
SCHEMBL11151279 1.00 HRH3 (0.81) HRH3DRD3BACE1SLC6A2SLC6A4
SCHEMBL14970452 0.92 HRH3 (0.89) HRH3DRD3SLC6A2SLC6A4
SCHEMBL12741179 0.89 HRH3 (1.00) HRH3DRD3
SCHEMBL491968 0.88 HRH3 (0.97) HRH3DRD3SLC6A2SLC6A4
SCHEMBL5857248 0.86 HRH3 (0.94) HRH3DRD3SLC6A2SLC6A4
SCHEMBL4420934 0.84 NPC1 (0.65) HRH3DRD3SLC6A2SLC6A4LTA4H
SCHEMBL4085732 0.84 LTA4H (0.66) HRH3BACE1LTA4HMAOB
SCHEMBL4084094 0.84 LTA4H (0.66) HRH3BACE1LTA4HMAOB
SCHEMBL1374727 0.84 LTA4H (0.63) HRH3DRD3SLC6A2SLC6A4LTA4H
SCHEMBL7137996 0.84 KCNH2 (0.75) HRH3LTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 US disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 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 (2 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D HRH3 3036/4885DRD3 2103/4885BACE1 551/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D HRH3 3036/4885DRD3 2103/4885BACE1 551/4885

“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.