SCHEMBL16274255

SCHEMBL16274255

CC(N)C(=O)OCC(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SLC7A5 Q01650 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 2/20 0.31
SLC1A3 P43003 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
Hydrochloric Acid SCHEMBL28439446 0.98 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL722409 0.80 TSHR (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16480677 0.80 ALOX15 (0.36) TSHRSMN1; SMN2
SCHEMBL4761853 0.80 TSHR (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL722410 0.80 TSHR (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL224726 0.78 ALOX15 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CYP3A4
Hydrochloric Acid SCHEMBL1314862 0.78 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5604725 0.78 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL4415250 0.78 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL18954375 0.78 TSHR (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. (US) 2014-12-04 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-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA GRIN2D 3803/4885GRIN3B 3633/4885GRIN1 3551/4885

“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.