SCHEMBL612974

SCHEMBL612974

N[C@@H](CC1=CCCC1)C(=O)O.N[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIK5 Q16478 1/20 0.43
TPH1 P17752 2/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
GRIN2D O15399 5/20 0.35
GRIN3B O60391 5/20 0.35
GRIN1 Q05586 5/20 0.35
GRIN2A Q12879 5/20 0.35
GRIN2B Q13224 5/20 0.35
GRIN2C Q14957 5/20 0.35
GRIN3A Q8TCU5 5/20 0.35

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
SCHEMBL14485771 0.85 GRIA1 (0.52) GRIA1GRIA3GRIA4GRIK5
SCHEMBL615017 0.85 GRIA1 (0.52) GRIA1GRIA3GRIA4GRIK5
SCHEMBL939749 0.85 GRIA1 (0.52) GRIA1GRIA3GRIA4GRIK5
SCHEMBL5298700 0.82 GRIA1 (0.47) GRIA1GRIA3GRIA4GRIK5
SCHEMBL4757741 0.81 GRIA1 (0.48) GRIA1GRIA3GRIA4GRIK5
SCHEMBL6255381 0.81 GRIA1 (0.48) GRIA1GRIA3GRIA4GRIK5
SCHEMBL5605868 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL43515 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2652715 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2651847 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20140341814-A1 COMPOUNDS MODULATORS OF VEGF ACTIVITY AND USES THEREOF ADVANCED ACCELERATOR APPLICATIONS S.A. 2014-11-20 US disclosed
US-20120040025-A9 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention IRONWOOD PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20100215779-A1 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention IRONWOOD PHARMACEUTICALS, INC. 2010-08-26 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-20120040025-A9 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention SLC10A2, SLC10A1, SLC26A3 GRIA1 2882/4885GRIA3 2581/4885GRIA4 2598/4885
US-20100215779-A1 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention SLC10A2, SLC10A1, SLC26A3 GRIA1 2882/4885GRIA3 2581/4885GRIA4 2598/4885

“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.