SCHEMBL2808080

SCHEMBL2808080

CC(C)(C)OC(=O)Nc1cc(C(O)O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
AAK1 Q2M2I8 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
IGF1R P08069 1/20 0.39
MAPK1 P28482 1/20 0.39
TGFBR1 P36897 1/20 0.39
CYP17A1 P05093 3/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
NR3C2 P08235 1/20 0.37
NAMPT P43490 1/20 0.37
CCR2 P41597 1/20 0.37
PTGER1 P34995 1/20 0.37
METAP1 P53582 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
SCHEMBL29626780 0.90 ATR (0.43) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL22945805 0.90 ATR (0.43) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL28741827 0.90 ATR (0.43) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL15070169 0.89 ATR (0.44) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL27962539 0.87 ATR (0.43) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL27955914 0.86 ATR (0.42) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL12596124 0.84 AAK1 (0.41) ATRGSK3BDYRK1AAAK1IGF1R
SCHEMBL12695294 0.84 RAB9A (0.42) ATRGSK3BDYRK1AAAK1IGF1R
SCHEMBL12541193 0.84 AAK1 (0.41) ATRGSK3BDYRK1AAAK1IGF1R
SCHEMBL21199963 0.83 AAK1 (0.41) ATRGSK3BDYRK1AAAK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101878209-A Oxypertine derivative as histamine receptor antagonists SCHERING CORP 2010-11-03 CN disclosed
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-30 US disclosed
EP-2205588-A2 OXYPIPERIDINE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-07-14 EP disclosed
WO-2009045313-A2 OXYPIPERIDINE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2009-04-09 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-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF OPRK1, GPR119, OPRD1 ATR 4358/4885GSK3B 1875/4885DYRK1A 1905/4885

“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.