SCHEMBL5281907

SCHEMBL5281907

NC(=O)Nc1cccc(CCCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
SIRT1 Q96EB6 1/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
AOC3 Q16853 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
S1PR1 P21453 4/20 0.44
S1PR4 O95977 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43

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
SCHEMBL9208431 0.86 CYP4F2 (0.54) CYP4F2CYP4A11ITGB3ITGA2BS1PR1
SCHEMBL77257 0.85 S1PR1 (0.60) S1PR1S1PR4S1PR3S1PR5TRPV1
SCHEMBL11340641 0.85 S1PR1 (0.60) S1PR1S1PR4S1PR3S1PR5TRPV1
SCHEMBL6836848 0.84 S1PR1 (0.53) AOC3S1PR1S1PR4S1PR3S1PR5
SCHEMBL9204156 0.84 CYP4F2 (0.52) CYP4F2CYP4A11S1PR1S1PR4S1PR3
SCHEMBL27804714 0.82 HTR6 (0.51) SIRT1AOC3ITGB3ITGA2BGAA
SCHEMBL27951813 0.82 NR3C2 (0.59) SIRT1AOC3ITGB3ITGA2BGAA
SCHEMBL5211495 0.82 PDK1 (0.55) AOC3ITGB3ITGA2BTRPV1GAA
SCHEMBL8883356 0.81 SIGMAR1 (0.62) AOC3ITGB3ITGA2BS1PR1S1PR4
SCHEMBL9114890 0.81 NPSR1 (0.54) CYP4F2CYP4A11S1PR1S1PR4S1PR3

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 4 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-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 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 (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 CYP4F2 564/4885CYP4A11 1158/4885SIRT1 991/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 CYP4F2 278/4885CYP4A11 163/4885SIRT1 2907/4885

“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.