SCHEMBL3593752

SCHEMBL3593752

NC(=O)CCN(CCc1ccccc1)CCN(CCc1ccc(O)c(CO)c1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.47
OPRK1 P41145 18/20 0.47
OPRD1 P41143 13/20 0.47
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3598105 0.91 OPRM1 (0.40) OPRM1OPRK1OPRD1
SCHEMBL3598241 0.91 OPRM1 (0.40) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL3592394 0.80 OPRK1 (0.39) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL3599524 0.78 OPRM1 (0.38) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL2213690 0.78 ADRB2 (0.44) DRD2DRD3
SCHEMBL2210688 0.78 ADRB2 (0.44) DRD2DRD3
Bromide SCHEMBL2213610 0.77 ADRB2 (0.44) DRD2DRD3
SCHEMBL2211074 0.77 ADRB2 (0.45) DRD2DRD3
SCHEMBL3590892 0.76 OPRM1 (0.38) OPRM1OPRK1OPRD1
SCHEMBL3597016 0.76 OPRM1 (0.38) OPRM1OPRK1OPRD1

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.