SCHEMBL6540104

SCHEMBL6540104

COc1cccc(Sc2ccccc2CCN)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
HTR1A P08908 1/20 0.50
HTR3A P46098 1/20 0.50
DHFR P00374 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
ADRA1A P35348 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 2/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
IDO1 P14902 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL6935793 0.82 HTR1A (0.52) HTR1AHTR3ADHFRMEN1KMT2A
SCHEMBL6937175 0.82 HTR1A (0.52) HTR1AHTR3ADHFRMEN1KMT2A
SCHEMBL13381798 0.80 MEN1 (0.70) HTR1AHTR3ADHFRMEN1KMT2A
SCHEMBL10359006 0.80 SLC6A4 (0.66) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL6932107 0.79 MMP2 (0.70) HTR1AHTR3AMEN1KMT2ANPC1
SCHEMBL6934949 0.79 HTR1A (0.49) HTR1AHTR3ADHFRMEN1KMT2A
Hydrochloric Acid SCHEMBL10358493 0.79 SLC6A4 (0.64) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL6540627 0.78 BCHE (0.53) MEN1KMT2ANPC1HTR2C
SCHEMBL9151160 0.78 MMP2 (0.54) HTR1AHTR3AMEN1KMT2ANPC1
SCHEMBL4385189 0.78 CYP2C9 (0.51) TAAR1SLC6A2SLC6A4SLC6A3HTR2C

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 TAAR1 201/4885HTR1A 135/4885HTR3A 514/4885

“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.