SCHEMBL18848348

SCHEMBL18848348

C[C@@H](OC(=O)NCCNCCNCCN)OC(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.39
CHRNB4 P30926 7/20 0.39
CHRNA3 P32297 7/20 0.39
CHRNA4 P43681 7/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRM1 Q13255 3/20 0.39
CTSK P43235 2/20 0.35
NAAA Q02083 1/20 0.34
EPHX1 P07099 1/20 0.33
GRIA1 P42261 1/20 0.33
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL18848276 1.00 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL18848250 1.00 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL18848361 0.93 CTSK (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL18848281 0.93 CTSK (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL18848226 0.93 CTSK (0.39) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL1884858 0.81 CTSK (0.38) CTSKNAAAEPHX1
SCHEMBL13943478 0.79 NAAA (0.39) CTSKNAAAEPHX1
SCHEMBL3884167 0.79 NAAA (0.36) CTSKNAAA
SCHEMBL18848343 0.78 CA12 (0.35)
SCHEMBL18848243 0.78 CA12 (0.35)

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-9738620-B2 Trientine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-08-22 US disclosed
US-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 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-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE SLC10A1, ABCB11, SLC10A2 CHRNB2 4731/4885CHRNB4 4644/4885CHRNA3 4744/4885

“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.