SCHEMBL3450598

SCHEMBL3450598

N[C@@H](CC(=O)OC1CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 0.42
GRIK2 Q13002 3/20 0.42
GRM1 Q13255 1/20 0.41
GRM2 Q14416 1/20 0.41
SLC7A5 Q01650 1/20 0.39
GRIA4 P48058 2/20 0.38
GRIK3 Q13003 2/20 0.38
GRIK5 Q16478 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
CYP2C19 P33261 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
SLC1A1 P43005 4/20 0.36
GGT1 P19440 3/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 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
SCHEMBL9501504 0.92 GRIK1 (0.47) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL2200901 0.91 GRIK1 (0.49) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL25197311 0.91 GRIK1 (0.49) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL10934269 0.86 TYR (0.39) CYP2C19
SCHEMBL3448590 0.81 SLC1A1 (0.50) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL23883319 0.80 SLC7A5 (0.39) GRIK1GRIK2SLC7A5GRIA4GRIK3
SCHEMBL23883375 0.79 CYP19A1 (0.41) GRIK1GRIK2SLC7A5GRIA4GRIK3
SCHEMBL23883371 0.79 GRIK1 (0.42) GRIK1GRIK2SLC7A5GRIA4GRIK3
Hydrochloric Acid SCHEMBL28800925 0.78 NAAA (0.33) CYP2C19
SCHEMBL6535845 0.77 CYP2C19 (0.50) GRIK1GRIK2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
US-6087324-A A WATER-INSOLUBLE OR A SLIGHTLY WATER-SOLUBLE POLYVALENT METAL SALT OF A WATER-SOLUBLE PHYSIOGICALLY ACTIVE PEPTIDE WHICH IS NOT AN ENDOTHELIN ANTAGONIST, AND A BIODEGRADABLE POLYMER SUCH AS COPOLYMER OF GLYCOLIC AND LACTIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
US-5883075-A HYPOTENSIVE AGENT CYCLIC PEPTIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
US-5616684-A CYCLIC HEXAPEPTIDE CONTAINING ASPARTIC ACID AND DERIVATIVES, 2-THIENYLGLYCINE, LEUCINE, AND TRYPTOPHAN; ENDOTHELIN RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
CN-1109780-A Sustained-release preparation of anti-endothelin substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP 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 (3 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 GRIK1 2246/4885GRIK2 2520/4885GRM1 3058/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 GRIK1 2246/4885GRIK2 2520/4885GRM1 3058/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 GRIK1 4845/4885GRIK2 4722/4885GRM1 4865/4885

“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.