SCHEMBL14768973

SCHEMBL14768973

NCC12CCC3CC(CC3C1)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.54
GRIN3B O60391 4/20 0.54
GRIN1 Q05586 4/20 0.54
GRIN2A Q12879 4/20 0.54
GRIN2B Q13224 4/20 0.54
GRIN2C Q14957 4/20 0.54
GRIN3A Q8TCU5 4/20 0.54
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL15314277 0.84 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19458875 0.79 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5327206 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL25573573 0.76 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1160907 0.74 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14070452 0.73 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23917147 0.73 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12758982 0.72 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8628071 0.72 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL9948848 0.72 GRIN2D (0.62) 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-9000047-B2 Compound inhibiting activation of the enzyme Erk 1/2 to be used in the treatment of neurodegenerative illnesses FARMALIDER, S.A. (ES) 2015-04-07 US disclosed
US-9000047-B2 Compound inhibiting activation of the enzyme Erk 1/2 to be used in the treatment of neurodegenerative illnesses FARMALIDER, S.A. (ES) 2015-04-07 US disclosed
US-20130065966-A1 Compound Inhibiting Activation of the Enzyme ERK 1/2 To Be Used In The Treatment Of Neurodegenerative Illnesses FARMALIDER, S.A. (ES) 2013-03-14 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-20130065966-A1 Compound Inhibiting Activation of the Enzyme ERK 1/2 To Be Used In The Treatment Of Neurodegenerative Illnesses MAPK1, BACE1, APP GRIN2D 1604/4885GRIN3B 760/4885GRIN1 360/4885

“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.