SCHEMBL27056016

SCHEMBL27056016

CC1CC2C(CC1C)C1NC2C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.49
▸ GAA P10253 1/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40

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
SCHEMBL27059399 0.91 CHRNA7 (0.49) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27059402 0.88 CHRNA7 (0.44) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27055985 0.86 CHRNA7 (0.48) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27059513 0.85 CHRNA7 (0.49) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27059400 0.84 CHRNA7 (0.48) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27059372 0.83 CHRNA7 (0.45) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27052185 0.83 CHRNA7 (0.47) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27134282 0.83 CHRNA7 (0.49) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27059324 0.82 CHRM2 (0.52) CHRNA7GAACHRM2CHRM4CHRM1
SCHEMBL27055817 0.82 CHRNA7 (0.51) CHRNA7GAACHRM2CHRM4CHRM1

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-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 — — 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-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 CHRNA7 3219/4885GAA 4343/4885CHRM2 803/4885

“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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