SCHEMBL7258557

SCHEMBL7258557

C=CCC1(C(=O)O)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
CTSK P43235 1/20 0.35
CD274 Q9NZQ7 1/20 0.33
JAK3 P52333 2/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL3514059 1.00 GRIN2B (0.37) GRIN2BGRIN2CCTSKCD274JAK3
SCHEMBL7264298 1.00 GRIN2B (0.37) GRIN2BGRIN2CCTSKCD274JAK3
SCHEMBL5135426 0.87 GRIN2B (0.38) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL1949227 0.87 GRIN2B (0.35) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL14282561 0.87 GRIN2B (0.35) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL14282367 0.84 GRIN2B (0.33) GRIN2BGRIN2CCTSKJAK3
SCHEMBL4569940 0.84 GRIN2B (0.38) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL19614453 0.83 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL15924562 0.83 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2
SCHEMBL19614479 0.83 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-04 US disclosed
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-04 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
WO-2008008551-A2 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 WO disclosed
EP-1332134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-08-06 EP disclosed
WO-2002060868-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-08-08 WO 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-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 GRIN2B 1961/4885GRIN2C 1945/4885CTSK 2645/4885
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 GRIN2B 71/4885GRIN2C 51/4885CTSK 1195/4885

“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.