SCHEMBL1318985

SCHEMBL1318985

C[C@H]1CNC[C@H](N(C)C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
AURKB Q96GD4 1/20 0.33
BUB1 O43683 1/20 0.33
ASGR1 P07306 1/20 0.33
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL14428327 0.90 HSD11B1 (0.42) HSD11B1BUB1ASGR1NFKB1NFKB2
SCHEMBL785468 0.87 HSD11B1 (0.41) HSD11B1BUB1ASGR1NFKB1NFKB2
Hydrochloric Acid SCHEMBL2401902 0.85 HSD11B1 (0.40) HSD11B1BUB1ASGR1NFKB1NFKB2
SCHEMBL16081763 0.83 HSD11B1 (0.44) HSD11B1AURKAPDPK1AURKBBUB1
SCHEMBL22822421 0.83 HSD11B1 (0.44) HSD11B1AURKAPDPK1AURKBBUB1
SCHEMBL24439134 0.83 HSD11B1 (0.44) HSD11B1AURKAPDPK1AURKBBUB1
Acetic Acid SCHEMBL1576732 0.82 HSD11B1 (0.39) HSD11B1BUB1ASGR1NFKB1NFKB2
SCHEMBL181909 0.78 SLC6A4 (0.42) HSD11B1
SCHEMBL1033810 0.78 SLC6A4 (0.42) HSD11B1
SCHEMBL65492 0.78 SLC6A4 (0.42) HSD11B1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 HSD11B1 1501/4885AURKA 298/4885PDPK1 12/4885

“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.