SCHEMBL5753754

SCHEMBL5753754

O=C1OC2CCCCCc3cccc1c32

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR3B O95264 1/20 0.38
ADRA2A P08913 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
KCNQ1 P51787 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
PARP1 P09874 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
SCHEMBL7269283 0.98 HTR3B (0.39) CYP2A6MAOAMAOBHTR3BADRA2A
SCHEMBL829382 0.72 HTR3B (0.50) CYP2A6MAOAMAOBHTR3BADRA2A
SCHEMBL5750856 0.71 LMNA (0.36) SMN1; SMN2LMNAPTGS1PTGS2CES1
SCHEMBL4847795 0.70 MAPT (0.40) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL11524815 0.69 HTR3B (0.47) CYP2A6MAOAMAOBHTR3BADRA2A
SCHEMBL651409 0.68 HTR3B (0.38) CYP2A6MAOAMAOBHTR3BADRA2A
SCHEMBL830902 0.67 HTR3B (0.48) CYP2A6MAOAMAOBHTR3BADRA2A
SCHEMBL7013965 0.67 HTR3B (0.48) CYP2A6MAOAMAOBHTR3BADRA2A
SCHEMBL829845 0.67 TSHR (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL14084703 0.66 ALOX15 (0.37) MAOBSMN1; SMN2LMNAPARP1PTGS1

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CYP2A6 1012/4885MAOA 3227/4885MAOB 3565/4885

“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.