SCHEMBL3886147

SCHEMBL3886147

O=C1CCN(CCOCc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.63
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TEAD3 Q99594 2/20 0.52
PKM P14618 2/20 0.49
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7246438 0.94 TEAD3 (0.60) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL3891265 0.94 TEAD3 (0.60) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL8108121 0.92 TEAD3 (0.55) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL6944485 0.92 TEAD3 (0.55) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL8109617 0.91 TEAD3 (0.54) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL6941768 0.91 TEAD3 (0.54) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL8108207 0.91 TEAD3 (0.54) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL6941703 0.91 TEAD3 (0.54) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL19557301 0.86 LTA4H (0.75) LTA4HGAAMEN1KMT2ATEAD3
SCHEMBL26981197 0.86 LTA4H (0.75) LTA4HGAAMEN1KMT2ATEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101395150-A Phenethanolamine derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-03-25 CN disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A LTA4H 470/4885GAA 4107/4885MEN1 1450/4885

“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.