SCHEMBL7354483

SCHEMBL7354483

N[C@H](Cc1nnn[nH]1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.41
CYP3A4 P08684 2/20 0.41
GRIA2 P42262 8/20 0.40
GRIA1 P42261 7/20 0.40
GRIA3 P42263 7/20 0.40
GRIA4 P48058 7/20 0.40
PKM P14618 2/20 0.40
CYP1A2 P05177 1/20 0.40
GRIK1 P39086 1/20 0.40
ALPI P09923 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
HSD17B10 Q99714 2/20 0.38
USP2 O75604 2/20 0.37
RGS12 O14924 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37

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
SCHEMBL4407721 1.00 SLC7A5 (0.41) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL5292027 1.00 SLC7A5 (0.41) SLC7A5CYP3A4GRIA2GRIA1GRIA3
SCHEMBL4408441 0.82 GRM2 (0.43) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL5741845 0.82 GRM2 (0.43) GRIA2GRIA1GRIA3GRIA4CYP1A2
SCHEMBL19489921 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22680029 0.80 GSR (0.42) CYP1A2NFKB1ALDH1A1APEX1
SCHEMBL7402279 0.78 ARG1 (0.39) ALOX15ALDH1A1
SCHEMBL18920666 0.78 APAF1 (0.34) CYP1A2KDM4ELMNAPOLBMAPT
SCHEMBL9291759 0.76 GRIA2 (0.46) CYP3A4GRIA2PKMHSD17B10USP2
SCHEMBL9292307 0.73 NOS3 (0.36) SLC7A5CYP3A4PKMCYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP claimed
US-5883075-A HYPOTENSIVE AGENT CYCLIC PEPTIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US claimed
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US claimed
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP claimed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP claimed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP claimed
EP-0655463-A1 Cyclic hexapeptides having endothelin antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP claimed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP claimed
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-6251861-B1 CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
EP-0627929-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-12-14 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
WO-1994017817-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1994-08-18 WO disclosed
WO-1993015756-A1 INHIBITORS OF THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 1993-08-19 WO 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 (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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC7A5 314/4885CYP3A4 4551/4885GRIA2 3196/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC7A5 314/4885CYP3A4 4551/4885GRIA2 3196/4885

“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.