SCHEMBL4176154

SCHEMBL4176154

BrCCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.64
TDP1 Q9NUW8 2/20 0.57
S1PR1 P21453 3/20 0.55
S1PR3 Q99500 1/20 0.54
S1PR5 Q9H228 1/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
PLA2G4B P0C869 1/20 0.52
KCNA3 P22001 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL8422540 0.93 KCNA3 (0.61) FFAR1TDP1DRD2DRD4DRD3
SCHEMBL14463902 0.91 FFAR1 (0.62) FFAR1TDP1S1PR1S1PR3S1PR5
SCHEMBL4521863 0.87 KCNA3 (0.59) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL9442260 0.86 KCNA3 (0.53) FFAR1TDP1S1PR1DRD2DRD4
SCHEMBL10741496 0.86 FFAR1 (0.55) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL10738553 0.86 FFAR1 (0.55) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL10733620 0.85 FFAR1 (0.56) FFAR1TDP1DRD2DRD4DRD3
SCHEMBL4981505 0.85 KCNA3 (0.73) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL7474215 0.84 FFAR1 (0.61) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL7619641 0.84 FFAR1 (0.66) FFAR1TDP1S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105309-A1 Medicinal Compounds GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-1675823-B1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
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
EP-1675823-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
WO-2005040103-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO 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 (2 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 FFAR1 1108/4885TDP1 3436/4885S1PR1 402/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 FFAR1 264/4885TDP1 4766/4885S1PR1 508/4885

“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.