SCHEMBL5803979

SCHEMBL5803979

CN(C)CC1(CN(C)C)CCCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
SLC6A4 P31645 15/20 0.35
SLC6A3 Q01959 14/20 0.35
SLC6A2 P23975 11/20 0.35
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRM1 P35372 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
Hydrochloric Acid SCHEMBL28301399 0.98 GRIN2D (0.35) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6683846 0.84 SIRT2 (0.39) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6743480 0.78 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6743483 0.78 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL6780587 0.76 GRIN2D (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL6780583 0.76 GRIN2D (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2692225 0.76 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15658952 0.74 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4130871 0.74 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5257298 0.72 GRIN1 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 US disclosed
WO-2006074261-A2 METHOD AND COMPOSITIONS FOR CONTROLLING RELEASE OF ORGANIC COMPOSITIONS MICHIGAN STATE UNIVERSITY (US) 2006-07-13 WO 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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 GRIN1 3508/4885GRIN2A 4169/4885GRIN2D 4391/4885

“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.