SCHEMBL23671505

SCHEMBL23671505

O=Cc1ccn(-c2ccc(NCCCN3CCCCC3)c(OCCN3CCCCC3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.68
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HTR2C P28335 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ ACP1 P24666 2/20 0.37

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
SCHEMBL23671500 0.91 BACE1 (0.67) BACE1HRH3HTR2CHTR2AHTR2B
SCHEMBL21622422 0.84 BACE1 (0.79) BACE1HRH3
SCHEMBL21622421 0.81 BACE1 (1.00) BACE1HRH3
SCHEMBL21616831 0.81 BACE1 (0.77) BACE1HRH3ACP1
SCHEMBL21616849 0.80 BACE1 (0.76) BACE1HRH3
SCHEMBL21622420 0.80 BACE1 (0.72) BACE1HRH3
SCHEMBL23671506 0.78 BACE1 (0.76) BACE1HRH3ACP1
SCHEMBL21622404 0.76 BACE1 (0.77) BACE1HRH3
SCHEMBL21616856 0.76 BACE1 (0.90) BACE1HRH3
SCHEMBL23671499 0.74 BACE1 (0.69) BACE1

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-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU) (FR) 2021-07-29 — — 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-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE ABCG2, SLC10A1, CYP3A43 BACE1 1582/4885HRH3 1810/4885HTR2C 879/4885

“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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