SCHEMBL5202580

SCHEMBL5202580

CCOC(=O)c1ccc(N2CCC(NCC(O)COc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.55
ADRB1 P08588 8/20 0.55
ADRB2 P07550 7/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.45
MITF O75030 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL7473044 0.88 ADRB3 (0.52) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL7469004 0.88 ADRB3 (0.52) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL5204783 0.87 LMNA (0.68) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL5205600 0.86 ADRB3 (0.50) ADRB3ADRB1ADRB2LMNACYP3A4
SCHEMBL7461019 0.86 PIK3CA (0.52) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL5208641 0.84 ADRB3 (0.44) ADRB3ADRB1ADRB2LMNACYP3A4
SCHEMBL5268846 0.84 MAPT (0.50) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL3293703 0.84 MAPT (0.50) ADRB3ADRB1ADRB2LMNAMAPT
SCHEMBL5203687 0.84 ADRB3 (0.47) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL5202975 0.84 ADRB3 (0.61) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP claimed
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 US disclosed
EP-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO 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-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 ADRB3 8/4885ADRB1 16/4885ADRB2 18/4885

“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.