SCHEMBL16522145

SCHEMBL16522145

CCC(COC(=O)c1cc(C)c(OC)c(OC)c1)(c1ccccc1)N(C)C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.88
▸ OPRD1 P41143 2/20 0.88
▸ PDE4D Q08499 2/20 0.88
▸ NR1I2 O75469 1/20 0.88
▸ CHRM2 P08172 1/20 0.88
▸ ADORA3 P0DMS8 1/20 0.88
▸ ADRA2B P18089 1/20 0.88
▸ SLC6A4 P31645 1/20 0.88
▸ OPRK1 P41145 1/20 0.88
▸ CHRNA4 P43681 1/20 0.88
▸ SLC6A3 Q01959 1/20 0.88
▸ KCNH2 Q12809 1/20 0.88
▸ KMT2A Q03164 5/20 0.79
▸ SMN1; SMN2 Q16637 4/20 0.79
▸ MAPT P10636 3/20 0.79
▸ MEN1 O00255 3/20 0.79
▸ MAPK1 P28482 2/20 0.79
▸ ALDH1A1 P00352 2/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ LMNA P02545 1/20 0.79

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
Trimebutine SCHEMBL14273976 0.93 OPRM1 (1.00) OPRM1OPRD1PDE4DNR1I2CHRM2
Trimebutine SCHEMBL25705 0.93 OPRM1 (1.00) OPRM1OPRD1PDE4DNR1I2CHRM2
Trimebutine SCHEMBL7428847 0.92 OPRM1 (0.98) OPRM1OPRD1PDE4DNR1I2CHRM2
Trimebutine SCHEMBL67225 0.88 ALDH1A1 (1.00) OPRM1OPRD1PDE4DNR1I2CHRM2
Trimebutine SCHEMBL1652810 0.88 ALDH1A1 (1.00) OPRM1OPRD1PDE4DNR1I2CHRM2
Trimebutine SCHEMBL5011979 0.88 ALDH1A1 (1.00) OPRM1OPRD1PDE4DNR1I2CHRM2
Trimebutine SCHEMBL28274910 0.88 ALDH1A1 (1.00) OPRM1OPRD1PDE4DNR1I2CHRM2
SCHEMBL23977102 0.86 OPRM1 (0.81) OPRM1OPRD1PDE4DNR1I2CHRM2
SCHEMBL31432918 0.85 OPRM1 (0.69) OPRM1OPRD1PDE4DNR1I2CHRM2
SCHEMBL14317655 0.85 OPRM1 (0.83) OPRM1OPRD1PDE4DNR1I2CHRM2

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-20150057316-A1 NOVEL SULFONATE-BASED TRIMEBUTINE SALTS GICARE PHARMA INC. (CA) 2015-02-26 — — 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-20150057316-A1 NOVEL SULFONATE-BASED TRIMEBUTINE SALTS TBK1, SI, TRIM59 OPRM1 476/4885OPRD1 76/4885PDE4D 3034/4885

“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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