SCHEMBL5679141

SCHEMBL5679141

CCOC(=O)CCc1ccc2c(c1)C[C@@H](N)CC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
HRH3 Q9Y5N1 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
APP P05067 1/20 0.40

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
SCHEMBL9195127 1.00 ACHE (0.49) ACHECYP4F2CYP4A11DRD2DRD3
SCHEMBL9191715 1.00 ACHE (0.49) ACHECYP4F2CYP4A11DRD2DRD3
Hydrochloric Acid SCHEMBL9133231 0.99 ACHE (0.48) ACHECYP4F2CYP4A11DRD2DRD3
Hydrochloric Acid SCHEMBL9133151 0.99 ACHE (0.48) ACHECYP4F2CYP4A11DRD2DRD3
Hydrochloric Acid SCHEMBL9133223 0.99 ACHE (0.48) ACHECYP4F2CYP4A11DRD2DRD3
SCHEMBL9199191 0.93 ACHE (0.47) ACHECYP4F2CYP4A11DRD2DRD3
Hydrochloric Acid SCHEMBL9134280 0.92 ACHE (0.47) ACHECYP4F2CYP4A11DRD2DRD3
SCHEMBL3542730 0.90 CYP4F2 (0.52) CYP4F2CYP4A11DRD2DRD3HRH3
Hydrochloric Acid SCHEMBL4784560 0.89 CYP4F2 (0.51) CYP4F2CYP4A11DRD2DRD3HRH3
SCHEMBL9192369 0.86 CYP4F2 (0.46) CYP4F2CYP4A11DRD2DRD3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2001094307-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-12-13 WO disclosed
EP-0500443-B1 Phenylethanolamino- and phenylethanolaminomethyltetralines, process for their preparation, intermediates of this process and pharmaceutical compositions containing them SANOFI SA (FR) 1995-04-26 EP 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

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 ACHE 79/4885CYP4F2 1526/4885CYP4A11 143/4885

“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.