SCHEMBL5296071

SCHEMBL5296071

CC(=O)Nc1cccc(COCCOc2ccc(CCNC[C@H](O)c3ccc4c(c3)COC(C)(C)O4)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.41
ADRB1 P08588 12/20 0.41
ADRB2 P07550 9/20 0.41
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5296076 1.00 ADRB3 (0.41) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5278111 0.94 ADRB3 (0.48) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5278118 0.94 ADRB3 (0.48) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5280151 0.91 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL5280160 0.91 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL5294313 0.91 ADRB3 (0.41) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5288452 0.89 ADRB3 (0.45) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5288433 0.89 ADRB3 (0.45) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5393168 0.89 ADRB2 (0.47) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5280870 0.89 ADRB2 (0.41) ADRB3ADRB1ADRB2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD ADRB3 67/4885ADRB1 148/4885ADRB2 85/4885

“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.