SCHEMBL4223975

SCHEMBL4223975

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.65
▸ OPRD1 P41143 2/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ ADRA2B P18089 1/20 0.65
▸ SLC6A4 P31645 1/20 0.65
▸ OPRK1 P41145 1/20 0.65
▸ CHRNA4 P43681 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ KMT2A Q03164 6/20 0.60
▸ MAPT P10636 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ LMNA P02545 1/20 0.60

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
SCHEMBL8055493 1.00 OPRM1 (0.65) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL3194606 1.00 OPRM1 (0.65) OPRM1OPRD1NR1I2CHRM2ADORA3
Maleic Acid SCHEMBL6116431 0.95 KMT2A (0.68) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL25675486 0.91 OPRM1 (0.56) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL3193334 0.89 OPRM1 (0.54) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL14350787 0.87 OPRM1 (0.55) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234741 0.86 OPRM1 (0.60) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL10300834 0.86 OPRM1 (0.60) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL10300830 0.86 OPRM1 (0.60) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL4234492 0.84 OPRM1 (0.58) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993436-A1 (S) 2-METHYLAMINO-2-PHENYL-$i(n)-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN PARKE-DAVIS (FR) 2000-04-19 — — EP claimed
WO-1999001417-A1 (S) 2-METHYLAMINO-2-PHENYL-n-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN PARKE-DAVIS (FR) 1999-01-14 — — WO claimed
EP-2252575-B1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OROXCELL (FR) 2012-12-19 — — EP disclosed
US-8217075-B2 2-amino-2-phenyl-alkanol derivatives, their preparation and pharmaceutical compositions containing them OROXCELL (FR) 2012-07-10 — — US disclosed
US-8217075-B2 2-amino-2-phenyl-alkanol derivatives, their preparation and pharmaceutical compositions containing them OROXCELL (FR) 2012-07-10 — — US disclosed
US-8217075-B2 2-amino-2-phenyl-alkanol derivatives, their preparation and pharmaceutical compositions containing them OROXCELL (FR) 2012-07-10 — — US disclosed
WO-2009112703-A1 2-AMINO-2-PHENYLALKANOL DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OROXCELL (FR) 2009-09-17 — — WO disclosed
US-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OROXCELL (FR) 2009-08-06 — — US disclosed
US-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OROXCELL (FR) 2009-08-06 — — US disclosed
US-20090197924-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM OROXCELL (FR) 2009-08-06 — — US disclosed
US-6103671-A BIOPOLYMER VISCOSIFIER AND WATER SOLUBLE POLYETHYLENE GLYCOL SHALE INHIBITOR TEXAS UNITED CHEMICAL COMPANY LLC. (US) 2000-08-15 — — US disclosed
EP-0993436-A1 (S) 2-METHYLAMINO-2-PHENYL-$i(n)-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN PARKE-DAVIS (FR) 2000-04-19 — — EP disclosed
EP-0993436-A1 (S) 2-METHYLAMINO-2-PHENYL-$i(n)-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN PARKE-DAVIS (FR) 2000-04-19 — — EP disclosed
EP-0993436-A1 (S) 2-METHYLAMINO-2-PHENYL-$i(n)-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN PARKE-DAVIS (FR) 2000-04-19 — — EP disclosed
WO-1999001417-A1 (S) 2-METHYLAMINO-2-PHENYL-n-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN PARKE-DAVIS (FR) 1999-01-14 — — WO disclosed
WO-1999001417-A1 (S) 2-METHYLAMINO-2-PHENYL-n-BUTYL 3,4,5-TRIMETHOXYBENZOATE, ITS APPLICATION TO THE TREATMENT OF CHRONIC PAIN PARKE-DAVIS (FR) 1999-01-14 — — WO disclosed
US-4163816-A COATING SUPPORT WITH LAYER OF HYDROLYZED CELLULOSE ESTER AND DISPOSING SILVER PRECIPITATING NUCLEI THEREIN POLAROID CORPORATION (US) 1979-08-07 — — 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-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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