SCHEMBL3599524

SCHEMBL3599524

NC(=O)CCN(CCc1ccccc1)CCN(CCc1ccc(O)c2[nH]c(=O)ccc12)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.38
OPRK1 P41145 8/20 0.38
OPRD1 P41143 4/20 0.38
ADRB2 P07550 10/20 0.37
ADRB1 P08588 6/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SMYD2 Q9NRG4 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL3598784 0.91 ADRB2 (0.40) OPRM1OPRK1OPRD1ADRB2ADRB1
SCHEMBL2213690 0.85 ADRB2 (0.44) ADRB2ADRB1DRD2DRD3
SCHEMBL2210688 0.85 ADRB2 (0.44) ADRB2ADRB1DRD2DRD3
Bromide SCHEMBL2213610 0.84 ADRB2 (0.44) ADRB2ADRB1DRD2DRD3
SCHEMBL2211074 0.84 ADRB2 (0.45) ADRB2ADRB1DRD2DRD3
SCHEMBL3603613 0.82 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
Benzoic Acid SCHEMBL2211864 0.81 ADRB2 (0.42) ADRB2ADRB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL2214100 0.81 ADRB2 (0.41) ADRB2ADRB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL2209414 0.81 ADRB2 (0.41) ADRB2ADRB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL2209065 0.80 ADRB2 (0.42) ADRB2ADRB1DRD2DRD3

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 OPRM1 83/4885OPRK1 76/4885OPRD1 38/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A OPRM1 51/4885OPRK1 37/4885OPRD1 27/4885

“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.