SCHEMBL3579874

SCHEMBL3579874

CC(C)C(CC=O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ECE1 P42892 2/20 0.33
EPHX1 P07099 1/20 0.30

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
SCHEMBL9617917 0.84
SCHEMBL10308328 0.83 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1ECE1EPHX1
SCHEMBL13710824 0.83 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1ECE1EPHX1
SCHEMBL3322985 0.79 GRIK1 (0.35) SLC1A3SLC1A2SLC1A1ECE1EPHX1
SCHEMBL4347972 0.78 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL27849374 0.78 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL4351614 0.78 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL9978423 0.76 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1ECE1
SCHEMBL9978421 0.76 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1ECE1
SCHEMBL9978422 0.76 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US disclosed
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US disclosed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 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 (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-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN KCNQ2, KCNQ1, KCNJ2 SLC1A3 1032/4885SLC1A2 490/4885SLC1A1 636/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 SLC1A3 1032/4885SLC1A2 490/4885SLC1A1 636/4885

“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.