SCHEMBL946473

SCHEMBL946473

CC(C)(C)CN(Cc1cccc(CO)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PTGER2 P43116 11/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.32
DAGLA Q9Y4D2 1/20 0.31
RIPK1 Q13546 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3511520 0.85 FAAH (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL946099 0.79 MEN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3747791 0.76 NPC1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7025759 0.75 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acetic Acid SCHEMBL6984469 0.73 NPSR1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26086914 0.71 GRM2 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14592944 0.70 CCR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10959505 0.70 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1861969 0.70 POLB (0.35) PTGER2NPSR1
SCHEMBL23355597 0.70 GRIN2D (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 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 (1 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 GRIN2D 979/4885GRIN3B 1378/4885GRIN1 1253/4885

“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.