SCHEMBL27059393

SCHEMBL27059393

O=C(OC1C2NC(C1OC(=O)c1ccccc1)C1C(c3ccccc3)CCC21)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.44
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR3E A5X5Y0 2/20 0.36
▸ HTR3B O95264 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HTR3D Q70Z44 2/20 0.36
▸ HTR3C Q8WXA8 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 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
SCHEMBL27059372 0.83 CHRNA7 (0.45) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27055817 0.79 CHRNA7 (0.51) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27059324 0.79 CHRM2 (0.52) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27059206 0.79 CHRNA7 (0.43) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27052541 0.79 CHRNA7 (0.43) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27059400 0.79 CHRNA7 (0.48) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27055984 0.79 CHRM2 (0.44) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27058699 0.78 CHRNA7 (0.50) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27058563 0.77 CHRNA7 (0.52) CHRNA7OPRM1OPRD1CHRM2CHRM4
SCHEMBL27056017 0.77 CHRNA7 (0.49) CHRNA7OPRM1OPRD1CHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067763-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
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 3219/4885OPRM1 554/4885OPRD1 298/4885

“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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