SCHEMBL1622237

SCHEMBL1622237

CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(Br)cc1OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
ADRB3 P13945 14/20 0.40
ADRB1 P08588 6/20 0.39
SCN5A Q14524 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ADRB2 P07550 1/20 0.36
MET P08581 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
SCHEMBL1622604 0.87 SCN9A (0.39) SCN9AADRB3ADRB1SCN5APDE4A
SCHEMBL1622541 0.83 SCN9A (0.41) SCN9AADRB3SCN5A
SCHEMBL1622188 0.83 ALDH1A1 (0.38) ADRB3ADRB1
SCHEMBL1622581 0.80 ADRB3 (0.45) ADRB3ADRB1PDE4APDE4BPDE4C
SCHEMBL1622385 0.74 ALDH1A1 (0.38) ADRB3ADRB1
SCHEMBL1623215 0.74 SCN9A (0.39) SCN9AADRB3ADRB1SCN5APDE4A
SCHEMBL7420271 0.73 NPY1R (0.45) NPY1RNPY2RPDE4APDE4BPDE4C
SCHEMBL1620612 0.71 SCN9A (0.40) SCN9AADRB3SCN5A
SCHEMBL4584962 0.71 PDE4A (0.46) ADRB3ADRB1NPY1RNPY2RPDE4A
SCHEMBL20189268 0.69 DUT (0.52) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
EP-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 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 (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-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 SCN9A 1123/4885ADRB3 40/4885ADRB1 19/4885

“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.