SCHEMBL13868205

SCHEMBL13868205

COC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
BTK Q06187 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD11B1 P28845 8/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL13868204 0.88 BTK (0.52) CTSKBTKCA1CA2HSD11B1
SCHEMBL7731684 0.88 BTK (0.46) CTSKBTKCA1CA2HSD11B1
SCHEMBL7727313 0.88 BTK (0.46) CTSKBTKCA1CA2HSD11B1
SCHEMBL7727315 0.88 BTK (0.46) CTSKBTKCA1CA2HSD11B1
SCHEMBL13868206 0.86 CTSK (0.48) CTSKBTKCA1CA2HSD11B1
SCHEMBL29243383 0.82 CTSK (0.51) CTSKBTKCA1CA2HSD11B1
SCHEMBL7729577 0.81 CTSK (0.48) CTSKBTKCA1CA2HSD11B1
SCHEMBL7726769 0.81 CTSK (0.48) CTSKBTKCA1CA2HSD11B1
SCHEMBL25271337 0.80 CYP3A4 (0.44) NR1H2NR1H3PTPN1EPHX1
SCHEMBL10058227 0.80 CYP3A4 (0.44) NR1H2NR1H3PTPN1EPHX1

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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 CTSK 1600/4885BTK 953/4885CA1 4481/4885

“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.