SCHEMBL3592390

SCHEMBL3592390

CC(C)(C)CN(CCNCCc1ccc(O)c(CO)c1)C(=O)CCNCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.42
ADRA1D P25100 1/20 0.42
DRD1 P21728 2/20 0.41
DRD3 P35462 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ADRB1 P08588 3/20 0.39

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
SCHEMBL3598956 0.92 ADRB2 (0.36) ADRB2ADRA1DSMYD2
SCHEMBL3597947 0.91 ADRB2 (0.43) ADRB2OPRK1ADRB1SMYD2
SCHEMBL3592197 0.85 ADRB2 (0.45) ADRB2DRD1DRD3ADORA3CHRM1
SCHEMBL3603610 0.77 ADRB2 (0.55) ADRB2DRD1DRD3ADRB1SMYD2
SCHEMBL3593749 0.77 SMYD2 (0.61) ADRB2ADRA1DDRD1DRD3ADORA3
SCHEMBL3598067 0.77 ADRB2 (0.39) ADRB2ADRA2BADRA2CADRA1AADRB1
SCHEMBL2209658 0.77 ADRB2 (0.69) ADRB2
SCHEMBL3602144 0.76 ADRB2 (0.41) ADRB2OPRK1ADRB1
SCHEMBL3598044 0.75 SMYD2 (0.71) ADRB2DRD1DRD3ADRB1SMYD2
SCHEMBL3604178 0.73 ALDH1A1 (0.46) ADRB2TRPV1

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 ADRB2 18/4885ADRA1D 2/4885DRD1 45/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRA1D 4/4885DRD1 69/4885

“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.