SCHEMBL5288433

SCHEMBL5288433

CC1(C)OCc2cc([C@@H](O)CNCCc3ccc(OCCOCc4cccc(C(=O)O)c4)cc3)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.45
ADRB2 P07550 4/20 0.43
ADRB1 P08588 6/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5288452 1.00 ADRB3 (0.45) ADRB3ADRB2ADRB1KDM4EGAA
SCHEMBL5283776 0.96 ADRB3 (0.46) ADRB3ADRB2ADRB1
SCHEMBL5280870 0.94 ADRB2 (0.41) ADRB3ADRB2ADRB1KDM4EGAA
SCHEMBL6152016 0.94 ADRB2 (0.41) ADRB3ADRB2ADRB1KDM4EGAA
SCHEMBL5279698 0.94 ADRB2 (0.41) ADRB3ADRB2ADRB1KDM4EGAA
SCHEMBL5398084 0.93 ADRB2 (0.50) ADRB3ADRB2ADRB1
SCHEMBL5398075 0.93 ADRB2 (0.50) ADRB3ADRB2ADRB1
SCHEMBL5282937 0.92 ADRB2 (0.40) ADRB3ADRB2ADRB1KDM4EGAA
SCHEMBL5282944 0.92 ADRB2 (0.40) ADRB3ADRB2ADRB1KDM4EGAA
SCHEMBL5373383 0.91 ADRB2 (0.39) ADRB3ADRB2ADRB1KDM4EGAA

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 67/4885ADRB2 85/4885ADRB1 148/4885

“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.