SCHEMBL5681817

SCHEMBL5681817

CCOC(=O)COc1ccc2c(c1)CC(N)CC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.58
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
POLB P06746 1/20 0.51
ADRB3 P13945 1/20 0.50
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.46
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.42

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
SCHEMBL5679478 1.00 ACHE (0.58) ACHEDRD2DRD3POLBADRB3
SCHEMBL9518883 1.00 ACHE (0.58) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8765229 0.99 ACHE (0.57) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8765234 0.99 ACHE (0.57) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL9443687 0.99 ACHE (0.57) ACHEDRD2DRD3POLBADRB3
SCHEMBL8765782 0.93 ADRB3 (0.55) ACHEDRD2DRD3POLBADRB3
SCHEMBL8766026 0.93 GAA (0.50) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8766863 0.91 ADRB3 (0.51) ACHEDRD2DRD3POLBADRB3
Hydrochloric Acid SCHEMBL8765354 0.89 GAA (0.51) ACHEPOLBADRB3GAANPSR1
SCHEMBL9305655 0.88 BRD4 (0.60) ACHEDRD2DRD3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP claimed
US-5159103-A 2-amino-7-hydroxytetraline ethers SANOFI (FR) 1992-10-27 US claimed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 EP claimed
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
EP-1292572-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-03-19 EP disclosed
US-6391915-B2 ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-21 US disclosed
US-20020006956-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-17 US disclosed
WO-2001094307-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-12-13 WO disclosed
EP-0976720-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-02 EP disclosed
EP-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
EP-0347313-B1 2-Amino-7-hydroxytetraline ethers SANOFI ELF (FR) 1993-12-15 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO 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 (2 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-20020006956-A1 Propanolamine derivatives PNLIP, ADRB1, FABP2 ACHE 78/4885DRD2 115/4885DRD3 103/4885
US-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same ADRB3, ADRB1, ADRB2 ACHE 79/4885DRD2 386/4885DRD3 165/4885

“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.