SCHEMBL5677299

SCHEMBL5677299

CC(C)(C)OC(=O)N[C@H]1CCc2ccc(O)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.64
CA2 P00918 6/20 0.64
ACHE P22303 6/20 0.64
DRD2 P14416 7/20 0.53
DRD3 P35462 4/20 0.53
DRD4 P21917 2/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
EPHX2 P34913 1/20 0.47
ESR2 Q92731 1/20 0.45
BTK Q06187 1/20 0.44

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
SCHEMBL9136687 1.00 CA1 (0.64) CA1CA2ACHEDRD2DRD3
SCHEMBL5722246 1.00 CA1 (0.64) CA1CA2ACHEDRD2DRD3
SCHEMBL7399411 0.95 CA1 (0.64) CA1CA2ACHEDRD2DRD3
SCHEMBL390212 0.89 EPHX2 (0.51) CA1CA2ACHEDRD2DRD3
SCHEMBL464262 0.86 MTNR1A (0.50) CA1CA2ACHEDRD2MTNR1A
SCHEMBL9752143 0.86 MTNR1A (0.50) CA1CA2ACHEDRD2MTNR1A
SCHEMBL9752147 0.86 MTNR1A (0.50) CA1CA2ACHEDRD2MTNR1A
SCHEMBL9132121 0.84 MTNR1A (0.48) CA1CA2ACHEDRD2MTNR1A
SCHEMBL9133654 0.84 MTNR1A (0.48) CA1CA2ACHEDRD2MTNR1A
SCHEMBL10253259 0.84 MTNR1A (0.51) CA1CA2ACHEDRD2MTNR1A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893432-B1 PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2006-11-08 EP disclosed
US-7030160-B2 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2006-04-18 US disclosed
US-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2004-02-19 US disclosed
EP-1292572-B1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-02-18 EP disclosed
CN-1100032-C 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives KISSEI PHARMACEUTICAL (JP) 2003-01-29 CN disclosed
EP-0882704-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-10-09 EP disclosed
EP-0894787-B1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL (JP) 2002-06-12 EP disclosed
US-6136852-A 3,4-disubstituted phenylethanolaminotetralincarboxylic acid derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-6133266-A 3,4-disubstituted phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
US-6046192-A Phenylethanolaminotetralincarboxamide derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2000-04-04 US disclosed
EP-0882704-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
US-5449813-A Phenylethanolamino- and phenylethanolaminomethyl-tetralines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1995-09-12 US disclosed
US-5401879-A Phenylethanolamino- and phenylethanolaminomethyltetralines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1995-03-28 US disclosed
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP disclosed
US-5210276-A PHENYLETHANOLAMINO- AND PHENYLETHANOLAMINOMETHYL-TETRALINES, PROCESS FOR THE PREPARATION THEREOF, INTERMEDIATES IN SAID PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELF SANOFI (FR) 1993-05-11 US disclosed
US-5202466-A 2-amino-7-hydroxytetraline ethers SANOFI (FR) 1993-04-13 US disclosed
US-5159103-A 2-amino-7-hydroxytetraline ethers SANOFI (FR) 1992-10-27 US disclosed
EP-0500443-A1 Phenylethanolamino- and phenylethanolaminomethyltetralines, process for their preparation, intermediates of this process and pharmaceutical compositions containing them SANOFI (FR) 1992-08-26 EP disclosed
EP-0499755-A1 Phenylethanolaminotetralines, process for their preparation, intermediates of this process and pharmaceutical compositions containing them MIDY S.p.A. (IT) 1992-08-26 EP disclosed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP 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-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same ADRB3, ADRB1, ADRB2 CA1 4712/4885CA2 3342/4885ACHE 79/4885

“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.