SCHEMBL88213

SCHEMBL88213

CCCCC[C@@H](C[C@H](CCCCC)C(=O)O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.77
GRIK2 Q13002 3/20 0.77
SLC1A2 P43004 3/20 0.77
SLC1A1 P43005 3/20 0.77
SLC1A3 P43003 2/20 0.67
CA2 P00918 2/20 0.67
MAPK1 P28482 1/20 0.67
GPR84 Q9NQS5 6/20 0.58
FFAR1 O14842 1/20 0.58
CHRM1 P11229 1/20 0.56
AKR1A1 P14550 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56

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
SCHEMBL83876 1.00 GRIK1 (0.77) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL2502978 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL6898445 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL6032768 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL577908 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL1197864 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL8034530 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3798142 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL17785976 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL4843975 0.95 GRIK1 (0.75) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS INC. (US) 2012-06-07 US disclosed
US-8129545-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2012-03-06 US disclosed
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC. (US) 2011-11-17 US disclosed
US-7982048-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2011-07-19 US disclosed
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS, INC. 2011-01-27 US disclosed
US-7795450-B2 Antagonist of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2010-09-14 US disclosed
US-20100048711-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2010-02-25 US disclosed
US-7619097-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2009-11-17 US disclosed
US-20090030080-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2009-01-29 US disclosed
US-7211667-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2007-05-01 US disclosed
US-20070010535-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological atates MAGNESIUM DIAGNOSTICS, INC. 2007-01-11 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 (6 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-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU GRIK1 537/4885GRIK2 836/4885SLC1A2 145/4885
US-20070010535-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological atates ECE1, GLS, ECE2 GRIK1 297/4885GRIK2 568/4885SLC1A2 91/4885
US-20100048711-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU GRIK1 537/4885GRIK2 836/4885SLC1A2 145/4885
US-20090030080-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU GRIK1 537/4885GRIK2 836/4885SLC1A2 145/4885
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU GRIK1 537/4885GRIK2 836/4885SLC1A2 145/4885
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES PLPBP, ECE1, MCU GRIK1 537/4885GRIK2 836/4885SLC1A2 145/4885

“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.