SCHEMBL3448590

SCHEMBL3448590

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.50
GSR P00390 2/20 0.50
GRM8 O00222 2/20 0.50
GRM6 O15303 2/20 0.50
GRM7 Q14831 2/20 0.50
GRM4 Q14833 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP1A2 P05177 1/20 0.50
GRIK1 P39086 1/20 0.50
GRM5 P41594 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
GRIA4 P48058 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIK2 Q13002 1/20 0.50

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
SCHEMBL9503510 0.93 NAAA (0.47) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL1845737 0.91 NAAA (0.49) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL18071166 0.91 NAAA (0.49) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL3926151 0.86 BLM (0.48) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL10935602 0.85 NAAA (0.39) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL3450598 0.81 GRIK1 (0.42) SLC1A1GRIK1GRIA1GRIA2SLC1A3
SCHEMBL2162458 0.78 SLC1A1 (0.60) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL29202853 0.77 NAAA (0.49) GRIN1GRIN2BNAAAALDH1A1TSHR
SCHEMBL10932186 0.76 SLC1A1 (0.62) SLC1A1GSRGRM8GRM6GRM7
SCHEMBL19690548 0.75 NAAA (0.52) NAAAALDH1A1TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135429-A1 The synthesis of cyclopropane amino acids and peptides THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-03-27 EP claimed
WO-1985000809-A1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-02-28 WO claimed
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-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 SLC1A1 171/4885GSR 3785/4885GRM8 3096/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC1A1 171/4885GSR 3785/4885GRM8 3096/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 SLC1A1 3985/4885GSR 1009/4885GRM8 4871/4885

“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.