SCHEMBL31108605

SCHEMBL31108605

CCOC(=O)CCc1cccc(C2(C(=O)CBr)CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ SYK P43405 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL29237466 1.00 NPSR1 (0.40) NPSR1ALDH1A1CYP4F2CYP4A11ALOX5
SCHEMBL29237237 0.94 CYP4F2 (0.38) NPSR1ALDH1A1CYP4F2CYP4A11ALOX5
SCHEMBL30217338 0.86 CYP4F2 (0.39) ALDH1A1CYP4F2CYP4A11CHRM5CHRM1
SCHEMBL29237682 0.86 CYP4F2 (0.39) ALDH1A1CYP4F2CYP4A11CHRM5CHRM1
SCHEMBL30967845 0.84 NPSR1 (0.41) NPSR1ALDH1A1CYP4F2CYP4A11ALOX5
SCHEMBL29237392 0.84 NPSR1 (0.41) NPSR1ALDH1A1CYP4F2CYP4A11ALOX5
SCHEMBL31108597 0.82 SIRT2 (0.43) ALDH1A1CYP4F2CYP4A11CHRM5CHRM1
SCHEMBL29237224 0.82 SIRT2 (0.43) ALDH1A1CYP4F2CYP4A11CHRM5CHRM1
SCHEMBL29237405 0.81 OPRM1 (0.38) NPSR1ALDH1A1CYP4F2CYP4A11CHRM5
SCHEMBL31108543 0.80 SIRT2 (0.41) CYP4F2CYP4A11CHRM5CHRM1CHRM3

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 NPSR1 1649/4885ALDH1A1 784/4885CYP4F2 1768/4885

“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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