SCHEMBL10277785

SCHEMBL10277785

CC#Cc1ccc2[nH]c3c(c2c1)CCN(CCCS(=O)(=O)O)C3

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.47
HTR1A P08908 1/20 0.45
ACHE P22303 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL16316063 0.85 ACHE (0.61) GRIN2BHTR1AACHEGRIN1GRIN2A
SCHEMBL930105 0.85 GRIN2B (0.51) GRIN2BHTR1AACHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5782954 0.84 GRIN2B (0.50) GRIN2BHTR1AACHEGRIN1GRIN2A
SCHEMBL12942834 0.83 GRIN2B (0.52) GRIN2BHTR1AACHEGRIN1GRIN2A
SCHEMBL927161 0.83 GRIN2B (0.51) GRIN2BHTR1AACHEGRIN1GRIN2A
SCHEMBL12226577 0.82 GRIN2B (0.48) GRIN2BHTR1AACHEGRIN1GRIN2A
SCHEMBL918624 0.82 HDAC1 (0.57) GRIN2BHTR1AACHEGRIN1GRIN2A
SCHEMBL5539610 0.82 GRIN2B (0.53) GRIN2BHTR1AACHEGRIN1GRIN2A
SCHEMBL10231045 0.81 GRIN2B (0.52) GRIN2BHTR1ASIGMAR1PARP1
SCHEMBL929864 0.80 SIGMAR1 (0.67) GRIN2BHTR1ASIGMAR1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 GRIN2B 1832/4885HTR1A 2489/4885ACHE 11/4885

“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.