SCHEMBL5280691

SCHEMBL5280691

CC(C)CCNC(=O)c1cccc(COCCOc2ccc(CCNC[C@H](O)c3ccc4c(c3)COC(C)(C)O4)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.38
ADRB3 P13945 13/20 0.37
ADRB1 P08588 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL5280696 1.00 ADRB2 (0.38) ADRB2ADRB3ADRB1SMN1; SMN2NPC1
SCHEMBL5373388 0.95 ADRB2 (0.39) ADRB2ADRB3ADRB1SMN1; SMN2KDM4E
SCHEMBL5373383 0.95 ADRB2 (0.39) ADRB2ADRB3ADRB1SMN1; SMN2KDM4E
SCHEMBL5283602 0.92 NPC1 (0.40) ADRB2ADRB3ADRB1SMN1; SMN2NPC1
SCHEMBL5283607 0.92 NPC1 (0.40) ADRB2ADRB3ADRB1SMN1; SMN2NPC1
SCHEMBL5282937 0.92 ADRB2 (0.40) ADRB2ADRB3ADRB1SMN1; SMN2KDM4E
SCHEMBL5282944 0.92 ADRB2 (0.40) ADRB2ADRB3ADRB1SMN1; SMN2KDM4E
SCHEMBL5431423 0.92 MEN1 (0.39) ADRB2ADRB3ADRB1NPC1MAPT
SCHEMBL5288433 0.90 ADRB3 (0.45) ADRB2ADRB3ADRB1SMN1; SMN2KDM4E
SCHEMBL5288452 0.90 ADRB3 (0.45) ADRB2ADRB3ADRB1SMN1; SMN2KDM4E

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 85/4885ADRB3 67/4885ADRB1 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.