SCHEMBL3593749

SCHEMBL3593749

O=C(CCNCCc1ccccc1)N(CCNCCc1ccc(O)c(CO)c1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 11/20 0.61
L3MBTL1 Q9Y468 1/20 0.47
ADRB2 P07550 6/20 0.41
ADRA1D P25100 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3598239 0.91 SMYD2 (0.53) SMYD2L3MBTL1
SCHEMBL3598104 0.91 SMYD2 (0.53) SMYD2L3MBTL1ADRB2ADRB1
SCHEMBL3599007 0.90 SMYD2 (0.62) SMYD2L3MBTL1ADRB2ADORA3CHRM1
SCHEMBL14163075 0.88 SMYD2 (0.60) SMYD2L3MBTL1ADRB2ADORA3CHRM1
SCHEMBL3590391 0.85 SMYD2 (0.57) SMYD2L3MBTL1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL3598585 0.85 SMYD2 (0.57) SMYD2L3MBTL1ADRB2ADORA3CHRM1
SCHEMBL3599521 0.78 SMYD2 (0.64) SMYD2L3MBTL1ADRB2DRD1DRD3
SCHEMBL2213686 0.78 SMYD2 (0.64) SMYD2ADRB2ADRB1
SCHEMBL2210687 0.78 SMYD2 (0.64) SMYD2ADRB2ADRB1
SCHEMBL3599713 0.78 SMYD2 (0.64) SMYD2L3MBTL1ADRB2DRD1DRD3

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-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 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 (2 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B SMYD2 3203/4885L3MBTL1 2855/4885ADRB2 18/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A SMYD2 1024/4885L3MBTL1 2364/4885ADRB2 1/4885

“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.