SCHEMBL31730809

SCHEMBL31730809

CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCC2CC2)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 14/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ SLC22A1 O15245 1/20 0.76
▸ ABCB11 O95342 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ CHRM2 P08172 1/20 0.76
▸ CHRM1 P11229 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ ADRA2C P18825 1/20 0.76
▸ NFKB1 P19838 1/20 0.76
▸ CHRM3 P20309 1/20 0.76
▸ ATP4A P20648 1/20 0.76
▸ PTGS1 P23219 1/20 0.76
▸ HRH2 P25021 1/20 0.76
▸ SLC6A4 P31645 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ ADRA1A P35348 1/20 0.76
▸ PTGS2 P35354 1/20 0.76
▸ ATP4B P51164 1/20 0.76
▸ KMT2A Q03164 1/20 0.76

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
SCHEMBL11208703 0.92 ACHE (0.89) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11244717 0.89 ACHE (0.84) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11244714 0.89 ACHE (0.84) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11279602 0.88 ACHE (0.82) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11211776 0.88 ACHE (0.82) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11279600 0.88 ACHE (0.82) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11208462 0.88 ACHE (0.82) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11250179 0.88 ACHE (0.82) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11250176 0.88 ACHE (0.82) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL11006146 0.88 ACHE (0.82) ACHEMEN1SLC22A1ABCB11LMNA

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-20250352506-A1 MRGPRB2/X2, AGONIST AND ANTAGONIST AND METHODS THEREOF THE UNIVERSITY OF HONG KONG (CN) 2025-11-20 — — 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-20250352506-A1 MRGPRB2/X2, AGONIST AND ANTAGONIST AND METHODS THEREOF MRGPRX2, MRGPRX1, MRGPRX4 ACHE 1458/4885MEN1 3087/4885SLC22A1 571/4885

“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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