SCHEMBL21616834

SCHEMBL21616834

O=c1oc2cc(Br)ccc2n1CCCCN1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.62
▸ SIGMAR1 Q99720 2/20 0.55

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
SCHEMBL21616820 0.97 TMEM97 (0.62) TMEM97SIGMAR1
SCHEMBL21616830 0.92 SIGMAR1 (0.63) TMEM97SIGMAR1
SCHEMBL12124517 0.86 — —
SCHEMBL15958316 0.82 HTR1A (0.59) —
SCHEMBL12124503 0.82 SLC6A2 (0.72) —
SCHEMBL21616847 0.81 NPC1 (0.60) SIGMAR1
SCHEMBL12124421 0.81 ALDH1A1 (0.72) —
SCHEMBL21616836 0.78 TMEM97 (0.58) TMEM97SIGMAR1
SCHEMBL12124573 0.77 TMEM97 (0.56) TMEM97
SCHEMBL12359956 0.76 SIGMAR1 (0.87) TMEM97SIGMAR1

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 TMEM97 1765/4885SIGMAR1 148/4885

“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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