SCHEMBL6513404

SCHEMBL6513404

[O]CCCCc1ccsc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
NAAA Q02083 1/20 0.43
GLS O94925 1/20 0.39
MEN1 O00255 1/20 0.37
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 1/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34

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
SCHEMBL2009601 0.93
SCHEMBL9855401 0.89 TAAR1 (0.65) TAAR1DRD2DRD3NAAAGLS
SCHEMBL10521145 0.86 TAAR1 (0.62) TAAR1DRD2DRD3NAAAGLS
SCHEMBL1538017 0.84
SCHEMBL8904834 0.83 TAAR1 (0.46) TAAR1DRD2DRD3NAAAGLS
SCHEMBL23897421 0.78 TAAR1 (0.72) TAAR1DRD2DRD3NAAAGRM2
SCHEMBL2096400 0.78 TAAR1 (0.54) TAAR1DRD2DRD3NAAAGLS
SCHEMBL869295 0.78 DRD2 (0.58) TAAR1DRD2DRD3ALDH1A1HSD17B10
SCHEMBL1309811 0.78 TAAR1 (0.54) TAAR1DRD2DRD3NAAAGLS
SCHEMBL868922 0.78 TAAR1 (0.54) TAAR1DRD2DRD3NAAAGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171094-A1 Pyrrolopyrimidine derivatives TEIJIN, LIMITED (JP) 2005-08-04 US disclosed
EP-1477490-A1 PYRROLOPYRIMIDINE DERIVATIVE TEIJIN LIMITED (JP) 2004-11-17 EP 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-20050171094-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP TAAR1 4863/4885DRD2 2946/4885DRD3 2301/4885

“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.