SCHEMBL6540592

SCHEMBL6540592

Oc1cccc(Sc2ccccc2CCNCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
MPO P05164 5/20 0.54
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2A P28223 3/20 0.46
HTR2C P28335 1/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
HTR6 P50406 1/20 0.41
BCHE P06276 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6539985 0.84 GAA (0.51) MPODRD2DRD4ADRA1DADRA1A
SCHEMBL6540319 0.82 GAA (0.53) MPODRD2DRD4ADRA1DADRA1A
SCHEMBL6540627 0.81 BCHE (0.53) HTR2AHTR2CBCHEMEN1KMT2A
SCHEMBL9328648 0.76 GAA (0.63) MPODRD2DRD4ADRA1DADRA1A
SCHEMBL6541125 0.74 SMN1; SMN2 (0.51) SMN1; SMN2GAA
SCHEMBL10961490 0.71 MPO (1.00) MPOGAAMAPTSLC6A5MEN1
SCHEMBL6540220 0.70 GAA (0.56) MPODRD2DRD4ADRA1DDRD3
SCHEMBL27595953 0.70 GAA (0.59) MPOHTR2CGAAMAPTHTR6
SCHEMBL6540358 0.70 MPO (0.51) MPODRD2DRD4ADRA1DADRA1A
SCHEMBL10341596 0.70 SLC6A4 (0.69) SMN1; SMN2GAA

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 SMN1; SMN2 2146/4885MPO 4719/4885DRD2 215/4885

“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.