SCHEMBL5281497

SCHEMBL5281497

CCCCNC(=O)c1cccc(COCCOc2ccc(CCNC[C@H](O)c3ccc(O)c(COC(C)=O)c3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.48
ADRB1 P08588 12/20 0.48
ADRB3 P13945 10/20 0.48
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5282293 0.98 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL5282604 0.92 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL5282592 0.92 ADRB2 (0.55) ADRB2ADRB1ADRB3
SCHEMBL5283553 0.92 ADRB2 (0.46) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5281493 0.92 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL5282962 0.91 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL5288123 0.90 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL5281531 0.90 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL5292017 0.90 ADRB2 (0.48) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5282280 0.90 ADRB2 (0.60) ADRB2ADRB1ADRB3

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 ADRB2 85/4885ADRB1 148/4885ADRB3 67/4885

“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.