SCHEMBL3603613

SCHEMBL3603613

CC(C)(C)CN(CCc1ccc(O)c2[nH]c(=O)ccc12)CCN(CCC(N)=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.42
ADRB1 P08588 8/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL3588533 0.91 ADRB2 (0.45) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL3590994 0.90 ADRB2 (0.43) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2209660 0.83 ADRB2 (0.49) ADRB2ADRB1DRD2
SCHEMBL3599524 0.82 OPRM1 (0.38) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL10640808 0.81 ADRB2 (0.48) ADRB2ADRB1DRD2DRD1DRD4
Trifluoroacetic Acid SCHEMBL2212005 0.80 ADRB2 (0.46) ADRB2ADRB1DRD2
SCHEMBL3592394 0.76 OPRK1 (0.39) DRD2DRD1DRD4DRD3
SCHEMBL3598052 0.76 SMYD2 (0.49) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2208930 0.76 ADRB2 (0.41) ADRB2
SCHEMBL3598784 0.75 ADRB2 (0.40) ADRB2ADRB1DRD2DRD1DRD4

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 18/4885ADRB1 4/4885DRD2 23/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885DRD2 18/4885

“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.