SCHEMBL21616841

SCHEMBL21616841

Nc1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.69
▸ LTA4H P09960 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL23671499 0.85 BACE1 (0.69) BACE1LTA4HPTGS2
SCHEMBL23671503 0.82 BACE1 (0.66) BACE1LTA4HPTGS2HRH3
SCHEMBL21616860 0.82 BACE1 (1.00) BACE1HRH3
SCHEMBL23671491 0.81 BACE1 (0.64) BACE1
SCHEMBL23671494 0.80 BACE1 (0.63) BACE1LTA4HPTGS1PTGS2HRH3
SCHEMBL21622469 0.80 BACE1 (1.00) BACE1HRH3
SCHEMBL21616831 0.78 BACE1 (0.77) BACE1HRH3
SCHEMBL13946680 0.78 LTA4H (0.55) BACE1LTA4HPTGS1PTGS2HRH3
SCHEMBL4029263 0.78 HTR2C (0.57) BACE1LTA4HPTGS1PTGS2HRH3
SCHEMBL21616864 0.78 BACE1 (1.00) BACE1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU) (FR) 2021-07-29 — — US disclosed
EP-3820862-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-05-19 — — EP disclosed
WO-2020011848-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-16 — — WO 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-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE ABCG2, SLC10A1, CYP3A43 BACE1 1582/4885LTA4H 1469/4885PTGS1 3240/4885

“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.

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