SCHEMBL5208641

SCHEMBL5208641

CCOC(=O)c1ccc(N2CCC(NCC(O)COc3ccc(O)c([S+](C)[O-])c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.44
ADRB1 P08588 10/20 0.44
ADRB2 P07550 7/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ATF4 P18848 3/20 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
Trifluoroacetic Acid SCHEMBL6141018 0.95 ADRB3 (0.42) ADRB3ADRB1ADRB2LMNACYP3A4
SCHEMBL7458989 0.90 HRH3 (0.43) ADRB3ADRB1ADRB2LMNACYP3A4
SCHEMBL6141010 0.86 ADRB3 (0.40) ADRB3ADRB1ADRB2LMNA
SCHEMBL5243498 0.86 LMNA (0.48) ADRB3ADRB1ADRB2LMNA
SCHEMBL5210039 0.85 MEN1 (0.43) ADRB3ADRB1ADRB2LMNA
SCHEMBL5205600 0.85 ADRB3 (0.50) ADRB3ADRB1ADRB2LMNACYP3A4
SCHEMBL5202580 0.84 ADRB3 (0.55) ADRB3ADRB1ADRB2LMNACYP3A4
SCHEMBL5202975 0.83 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL5203687 0.83 ADRB3 (0.47) ADRB3ADRB1ADRB2LMNACYP3A4
SCHEMBL7470047 0.82 ADRB3 (0.45) ADRB3ADRB1ADRB2LMNACYP3A4

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 4 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

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.