SCHEMBL6009980

SCHEMBL6009980

NCCC(O)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 1/20 0.39
AOC3 Q16853 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAOB P27338 3/20 0.38
HRH1 P35367 1/20 0.38
GBA1 P04062 1/20 0.37
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 1/20 0.37
F2 P00734 1/20 0.36

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
SCHEMBL6204256 0.85 TAAR1 (0.41) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL14402510 0.83 TAS1R3 (0.40) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL13849907 0.83 TAS1R3 (0.40) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL14402859 0.80 TAAR1 (0.37) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5681973 0.80 TAAR1 (0.43) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL15067498 0.80 TAAR1 (0.43) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL28558103 0.80 TAAR1 (0.43) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4680286 0.79 TAAR1 (0.48) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL27999583 0.78 TAAR1 (0.52) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL4629058 0.78 TAAR1 (0.50) TAAR1CYP3A4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 US 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR TAAR1 1542/4885CYP3A4 1704/4885CYP2D6 2171/4885

“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.