SCHEMBL1607970

SCHEMBL1607970

CCC(C(=O)O)N1CCCNCCNCCCNCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
CXCR4 P61073 2/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 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
SCHEMBL29926322 0.92 SIGMAR1 (0.42) OPRD1OPRM1OPRK1SIGMAR1SLC6A2
SCHEMBL6423819 0.90 SIGMAR1 (0.41) OPRD1OPRM1OPRK1SIGMAR1SLC6A2
SCHEMBL7590414 0.90 SIGMAR1 (0.43) OPRD1OPRM1OPRK1SIGMAR1SLC6A2
SCHEMBL1494478 0.90 SIGMAR1 (0.43) OPRD1OPRM1OPRK1SIGMAR1SLC6A2
Hydrochloric Acid SCHEMBL28404227 0.88 SIGMAR1 (0.42) OPRD1OPRM1OPRK1SIGMAR1SLC6A2
SCHEMBL8529806 0.80 SLC6A3 (0.46) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL19889439 0.80 SLC6A3 (0.46) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL499846 0.80 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4441694 0.80 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL472291 0.79 SLC6A3 (0.49) SIGMAR1SLC6A2SLC6A4SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110079557-A1 MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALIZED POLYAZACYLOALKANES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-04-07 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 (1 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-20110079557-A1 MATERIALS FOR THE SOLID/LIQUID EXTRACTION OF HEAVY METAL IONS, CONTAINING SUPPORTED N-FUNCTIONALIZED POLYAZACYLOALKANES NR2C2, NR2E3, NCOR2 OPRD1 592/4885OPRM1 590/4885OPRK1 301/4885

“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.