SCHEMBL3592200

SCHEMBL3592200

CC(C)(C)CN(CCc1ccc(O)c(NC=O)c1)CCN(CCC(N)=O)CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.37
OPRK1 P41145 2/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KDM5A P29375 1/20 0.36
DRD2 P14416 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
HDAC1 Q13547 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
SCHEMBL3598071 0.92 POLB (0.35) ADRB2ADRB1ADRB3KDM5ADRD2
SCHEMBL3602149 0.91 TAAR1 (0.34) ADRB2OPRK1KDM5ADRD2OPRM1
SCHEMBL3592394 0.82 OPRK1 (0.39) OPRK1CA12CA1CA2CA4
SCHEMBL3592197 0.76 ADRB2 (0.45) ADRB2OPRK1ADRB1ADRB3KDM5A
SCHEMBL3597016 0.75 OPRM1 (0.38) OPRK1OPRM1OPRD1
SCHEMBL3598959 0.74 POLB (0.35) OPRK1DRD2DRD3
SCHEMBL3597952 0.74 TAAR1 (0.37) ADRB2DRD2DRD3
SCHEMBL3590892 0.73 OPRM1 (0.38) OPRK1OPRM1OPRD1
SCHEMBL10409066 0.73 DRD2 (0.61) OPRK1KDM5ADRD2OPRM1DRD3
SCHEMBL3597026 0.73 ALDH1A1 (0.45) CA1CA2HDAC1

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 18/4885OPRK1 76/4885ADRB1 4/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A ADRB2 1/4885OPRK1 37/4885ADRB1 2/4885

“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.