SCHEMBL3597016

SCHEMBL3597016

Cc1cccc(CCN(CCC(N)=O)CCN(CCc2ccc(O)c(NC=O)c2)C2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.38
OPRD1 P41143 15/20 0.38
OPRK1 P41145 15/20 0.38
NPC1 O15118 3/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.33

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
SCHEMBL3590892 0.90 OPRM1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL3598241 0.85 OPRM1 (0.40) OPRM1OPRD1OPRK1NPC1
SCHEMBL3598071 0.83 POLB (0.35)
SCHEMBL3598784 0.78 ADRB2 (0.40) OPRM1OPRD1OPRK1
SCHEMBL2210725 0.77 ADRB2 (0.41)
SCHEMBL3597011 0.76 SMYD2 (0.51) NPC1
SCHEMBL3593752 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL2213045 0.76 ADRB2 (0.41)
SCHEMBL3598105 0.75 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL3592200 0.75 ADRB2 (0.37) OPRM1OPRD1OPRK1

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

“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.