SCHEMBL1607958

SCHEMBL1607958

CC(C)(C)OC(=O)N(C(O)CO)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
GAA P10253 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NR1H2 P55055 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
TSHR P16473 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
SCHEMBL4753063 0.85 EPHX1 (0.35) EPHX1HTR2CSLC6A4GAACTSS
SCHEMBL1424706 0.85 EPHX1 (0.35) EPHX1HTR2CSLC6A4GAACTSS
SCHEMBL4971663 0.83 EPHX1 (0.33) EPHX1HTR2CSLC6A4GAACTSS
SCHEMBL4971669 0.83 EPHX1 (0.33) EPHX1HTR2CSLC6A4GAACTSS
SCHEMBL14666763 0.81 ADH1B (0.38) EPHX1GAACTSSCTSKHPGD
SCHEMBL4972424 0.78 EPHX1 (0.33) EPHX1GAACTSSCTSKTSHR
SCHEMBL647264 0.78 TSHR (0.37) EPHX1GAACTSSCTSKBTK
SCHEMBL9744375 0.78 TSHR (0.37) EPHX1GAACTSSCTSKBTK
SCHEMBL4328796 0.78 TSHR (0.37) EPHX1GAACTSSCTSKBTK
SCHEMBL2712968 0.78 TSHR (0.37) EPHX1GAACTSSCTSKBTK

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-20110082132-A1 [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-07 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-20110082132-A1 [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS DOT1L, EHMT1, Q6ZSR9 EPHX1 840/4885HTR2C 967/4885SLC6A4 1267/4885

“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.