SCHEMBL2262259

SCHEMBL2262259

C=C(C)C(=O)OC(=O)C(N)CCC(=O)O.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GSR P00390 1/20 0.46
GRIK1 P39086 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL28887306 0.98 CYP1A2 (0.47) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL28887305 0.98 CYP1A2 (0.47) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL12477330 0.84 CYP1A2 (0.50) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL12477334 0.84 CYP1A2 (0.50) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL689292 0.82 THRB (0.46) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL2262266 0.82 CA1 (0.40) TSHRNFKB1THRB
SCHEMBL31588317 0.81 TSHR (0.41) GRIK1GRIA4GRIK2GRIK3GRM1
SCHEMBL23200441 0.80 CYP1A2 (0.54) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL8838342 0.80 CYP1A2 (0.54) CYP1A2GRM8GRM6GRIN2DGRIN3B
SCHEMBL496858 0.80 GRM8 (0.62) CYP1A2GRM8GRM6GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190409-A1 DRUG DELIVERY VEHICLES, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2013-07-25 US disclosed
US-8420121-B2 Drug delivery vehicles, methods of manufacture, and methods of use thereof UNIVERSITY OF MASSACHUSETTS (US) 2013-04-16 US disclosed
US-20110200675-A1 DRUG DELIVERY VEHICLES, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2011-08-18 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-20110200675-A1 DRUG DELIVERY VEHICLES, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF OGFR, OPRL1, OPRK1 CYP1A2 820/4885GRM8 1823/4885GRM6 2038/4885
US-20130190409-A1 DRUG DELIVERY VEHICLES, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF OGFR, OPRL1, OPRK1 CYP1A2 820/4885GRM8 1823/4885GRM6 2038/4885

“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.