SCHEMBL6540358

SCHEMBL6540358

O=S(=O)(c1cccc(O)c1)c1ccccc1CCNCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.51
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA4 P22748 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
HTR2A P28223 5/20 0.43
SLC6A2 P23975 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
HTR2C P28335 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6539919 0.85 HTR6 (0.51) MPODRD2DRD4ADRA1DADRA1A
SCHEMBL6541401 0.82 CA1 (0.59) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL6677121 0.78 CA1 (0.50) MPODRD2DRD4ADRA1DADRA1A
SCHEMBL6540960 0.76 OPRM1 (0.41) CA1CA2CA12CA4GAA
SCHEMBL6541483 0.76 CA1 (0.56) MPODRD4CA1CA2CA12
SCHEMBL9328648 0.74 GAA (0.63) MPODRD2DRD4ADRA1DADRA1A
SCHEMBL6541122 0.73 CA1 (0.68) MPOCA1CA2CA12CA9
SCHEMBL3569760 0.72 SLC6A2 (0.79) HTR2ASLC6A2HTR2CHTR6
SCHEMBL7929132 0.72 GAA (0.61) CA2CA12CA9GAAPOLB
SCHEMBL6540229 0.72 HTR6 (0.51) MPODRD4CA1CA2CA12

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
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 MPO 4719/4885DRD2 215/4885DRD4 1409/4885

“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.