SCHEMBL31108543

SCHEMBL31108543

COC(=O)CCc1cccc(C2(C(=O)CBr)CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL31108595 0.98 SIRT2 (0.41) SIRT2AKT1AKT2PTPN1HDAC4
SCHEMBL29237224 0.95 SIRT2 (0.43) SIRT2AKT1AKT2PTPN1OPRM1
SCHEMBL31108597 0.95 SIRT2 (0.43) SIRT2AKT1AKT2PTPN1OPRM1
SCHEMBL29237814 0.88 SIRT2 (0.41) SIRT2PTPN1OPRM1OPRK1CHRM5
SCHEMBL30967835 0.86 SIRT2 (0.40) SIRT2AKT1AKT2PTPN1OPRM1
SCHEMBL30217058 0.86 SIRT2 (0.40) SIRT2AKT1AKT2PTPN1OPRM1
SCHEMBL29237811 0.83 SIRT2 (0.38) SIRT2PTPN1OPRM1OPRK1BRD4
SCHEMBL30216997 0.83 SIRT2 (0.38) SIRT2PTPN1OPRM1OPRK1BRD4
SCHEMBL31108605 0.80 NPSR1 (0.40) OPRM1OPRK1CHRM5CHRM1CHRM3
SCHEMBL29237466 0.80 NPSR1 (0.40) OPRM1OPRK1CHRM5CHRM1CHRM3

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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE SIONNA THERAPEUTICS INC. 2024-08-22 — — 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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 SIRT2 1623/4885AKT1 1426/4885AKT2 1456/4885

“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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