SCHEMBL23671503

SCHEMBL23671503

Brc1ccc(NCCCCN2CCCCC2)c(OCCN2CCCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.66
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ PTGS2 P35354 1/20 0.46

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 0.97 BACE1 (0.69) BACE1ATML3MBTL1ALDH1A1MEN1
SCHEMBL23671491 0.94 BACE1 (0.64) BACE1ATML3MBTL1ALDH1A1MEN1
SCHEMBL21616826 0.92 BACE1 (0.59) BACE1ATML3MBTL1ALDH1A1MEN1
SCHEMBL23671489 0.91 BACE1 (0.58) BACE1ATML3MBTL1ALDH1A1LMNA
SCHEMBL23671493 0.91 BACE1 (0.58) BACE1ATML3MBTL1ALDH1A1MEN1
SCHEMBL23671496 0.85 BACE1 (0.53) BACE1ATML3MBTL1ALDH1A1LMNA
SCHEMBL23671497 0.85 BACE1 (0.62) BACE1ATML3MBTL1ALDH1A1HRH3
SCHEMBL21616841 0.82 BACE1 (0.69) BACE1HRH3LTA4HPTGS2
SCHEMBL21616821 0.81 TSHR (0.47) BACE1ATML3MBTL1ALDH1A1MEN1
SCHEMBL21616860 0.80 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 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 1582/4885ATM 4825/4885L3MBTL1 3738/4885

“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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