SCHEMBL7587459

SCHEMBL7587459

CC(C)OC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
KCNA3 P22001 1/20 0.47
USP14 P54578 1/20 0.43
HSD11B1 P28845 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD2 P14416 5/20 0.42
CCR5 P51681 1/20 0.42
BTK Q06187 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 2/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7586943 0.86 CTSK (0.51) CTSKKCNA3USP14HSD11B1CYP2C9
SCHEMBL7578299 0.83 CTSK (0.48) CTSKKCNA3USP14HSD11B1CYP2C9
SCHEMBL2693344 0.82 KCNA3 (0.54) CTSKKCNA3USP14HSD11B1CYP2C9
SCHEMBL12228102 0.81 CTSK (0.51) CTSKKCNA3USP14HSD11B1CYP2C9
SCHEMBL7587426 0.81 CTSK (0.46) CTSKKCNA3USP14HSD11B1CYP2C9
SCHEMBL21098058 0.80 CTSK (0.57) CTSKKCNA3HSD11B1CYP2C9DRD2
SCHEMBL21098084 0.80 CTSK (0.57) CTSKKCNA3HSD11B1CYP2C9DRD2
SCHEMBL21063443 0.80 CTSK (0.57) CTSKKCNA3HSD11B1CYP2C9DRD2
SCHEMBL1063091 0.80 EPHX1 (0.55) CTSKHSD11B1CYP2C9BTKCA1
SCHEMBL15373110 0.80 KCNA3 (0.52) CTSKKCNA3USP14HSD11B1CYP2C9

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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 CTSK 2841/4885KCNA3 2714/4885USP14 3278/4885

“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.