SCHEMBL21616828

SCHEMBL21616828

Oc1cc(Br)ccc1NCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ ACP1 P24666 1/20 0.42
▸ SMARCA2 P51531 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL21616837 0.92 TSHR (0.48) TSHRGFERMEN1KMT2ANPC1
SCHEMBL21616821 0.90 TSHR (0.47) TSHRGFERMEN1KMT2ANPC1
SCHEMBL4069514 0.81 SIGMAR1 (0.44) MEN1KMT2ANPC1SIGMAR1HRH3
SCHEMBL14304586 0.81 MEN1 (0.47) MEN1KMT2ANPC1SIGMAR1HRH3
SCHEMBL21616826 0.78 BACE1 (0.59) MEN1KMT2A
SCHEMBL5128357 0.78 SIGMAR1 (0.44) TSHRGFERMEN1KMT2ANPC1
SCHEMBL2696438 0.77 SIGMAR1 (0.42) GFERMEN1KMT2ANPC1SIGMAR1
SCHEMBL23671489 0.77 BACE1 (0.58) —
SCHEMBL23671493 0.77 BACE1 (0.58) MEN1KMT2ANPC1RAB9A
SCHEMBL31033187 0.76 SIGMAR1 (0.48) TSHRMEN1KMT2ASIGMAR1MAPT

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 4 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
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 TSHR 3987/4885GFER 3142/4885MEN1 852/4885

“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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