SCHEMBL4595827

SCHEMBL4595827

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 3/20 0.43
ANPEP P15144 6/20 0.41
RNPEP Q9H4A4 3/20 0.41
DNPEP Q9ULA0 1/20 0.41
LAP3 P28838 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
SLC1A1 P43005 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
LARS1 Q9P2J5 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34

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
SCHEMBL4594704 1.00 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1911122 1.00 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL56161 0.98 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL56160 0.98 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL3223338 0.98 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Trifluoroacetic Acid SCHEMBL2494882 0.87 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL18774975 0.80 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL18774973 0.79 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL24049287 0.79 ANPEP (0.45) SLC7A5ANPEPRNPEPDNPEPMMP1
SCHEMBL6857551 0.79 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-09-28 EP claimed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP claimed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US claimed
EP-2718266-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-05-25 EP claimed
US-9321727-B2 Pyridine derivatives as agonists of the CB2 receptor HOFFMANN-LA ROCHE INC. (US) 2016-04-26 US claimed
US-9290451-B2 2016-03-22 US claimed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP claimed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO claimed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US claimed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US claimed
US-11679090-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2023-06-20 US disclosed
US-11679090-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2023-06-20 US disclosed
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1998007742-A1 SULFONAMIDES ZENECA LIMITED (GB) 1998-02-26 WO disclosed
US-4382889-A Epoxysuccinic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US disclosed
US-4333879-A CALCIUM-ACTIVATED NEUTRAL THIOLPROTEASE INHIBITOR USED IN THE TREATMENT OF MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1982-06-08 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 (4 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-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 SLC7A5 2449/4885SLC1A3 2241/4885SLC1A2 1254/4885
US-11679090-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof GATD3, GABRR2, GABRR3 SLC7A5 2349/4885SLC1A3 219/4885SLC1A2 138/4885
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 SLC7A5 3557/4885SLC1A3 2616/4885SLC1A2 1028/4885
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES NUDT1, NT5C3B, MTAP SLC7A5 1279/4885SLC1A3 3464/4885SLC1A2 4005/4885

“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.