SCHEMBL4231124

SCHEMBL4231124

CC[C@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(NCC(=O)OC(C)OC(=O)C(C)C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.52
▸ OPRD1 P41143 2/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ KMT2A Q03164 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL4231296 0.92 OPRM1 (0.52) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234900 0.84 OPRM1 (0.57) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234500 0.84 OPRM1 (0.57) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4238240 0.83 OPRM1 (0.56) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234492 0.83 OPRM1 (0.58) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234741 0.83 OPRM1 (0.60) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4233062 0.80 OPRM1 (0.52) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4237230 0.80 OPRM1 (0.52) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL8055493 0.80 OPRM1 (0.65) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL3194606 0.80 OPRM1 (0.65) OPRM1OPRD1NR1I2CHRM2ADORA3

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-8217075-B2 2-amino-2-phenyl-alkanol derivatives, their preparation and pharmaceutical compositions containing them OROXCELL (FR) 2012-07-10 — — US claimed
US-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OROXCELL (FR) 2009-08-06 — — US claimed

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-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OPRK1, ALK, AGTR2 OPRM1 6/4885OPRD1 16/4885NR1I2 449/4885

“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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