SCHEMBL13021104

SCHEMBL13021104

CC(C)(C)OC(=O)NCCOCCOCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.46
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
CACNA1H O95180 1/20 0.44
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL31305414 0.94 DRD2 (0.50) DRD2SIGMAR1CACNA1HTDP1
SCHEMBL30572359 0.89 DRD2 (0.45) DRD2SIGMAR1CACNA1H
SCHEMBL31305369 0.88 DRD2 (0.46) DRD2SIGMAR1CACNA1HTDP1
SCHEMBL21069638 0.86 DRD2 (0.46) DRD2SIGMAR1CACNA1HTDP1
SCHEMBL28927100 0.86 MEN1 (0.49) DRD2SIGMAR1CACNA1HTDP1
SCHEMBL4024516 0.85 DRD2 (0.56) DRD2ACHEBACE1CACNA1HTDP1
SCHEMBL4743239 0.84 ACHE (0.58) DRD2ACHEBACE1SIGMAR1TDP1
Iodide SCHEMBL15145961 0.84 DRD2 (0.57) DRD2ACHEBACE1SIGMAR1TDP1
SCHEMBL485945 0.83 DRD2 (0.55) DRD2ACHEBACE1CACNA1HTDP1
SCHEMBL7220892 0.83 DRD2 (0.55) DRD2ACHEBACE1CACNA1HTDP1

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-7858648-B2 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-12-28 US disclosed
US-20080076816-A1 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA THE UNIVERSITY OF MANCHESTER (GB) 2008-03-27 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-20080076816-A1 Nanotube complexes are water soluble, nontoxic; use in delivering biologicals such as DNA for gene therapy, DNA vaccines; amine salts derived from diethylenetriaminepentaacetic acid-modified nanotubes with anion such as DNA DNTT, EEA1, DCTN1 DRD2 2115/4885ACHE 3790/4885BACE1 4796/4885

“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.