SCHEMBL9901066

SCHEMBL9901066

CC(C)(C)OC(=O)N1CCCC(COc2cccc(F)c2)C1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.54
ALOX5AP P20292 2/20 0.52
FEN1 P39748 2/20 0.52
CHEK2 O96017 1/20 0.51
PFKFB3 Q16875 1/20 0.48
KDM1A O60341 1/20 0.48
ACKR3 P25106 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
KAT7 O95251 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
SLC2A1 P11166 1/20 0.46
USP30 Q70CQ3 1/20 0.45
SSTR4 P31391 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44

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
SCHEMBL9900867 0.94 SLC2A1 (0.51) SCN9AALOX5APFEN1GPR119SLC2A1
SCHEMBL29576187 0.88 CHEK2 (0.51) SCN9AALOX5APFEN1CHEK2PFKFB3
SCHEMBL15638179 0.88 CHEK2 (0.51) SCN9AALOX5APFEN1CHEK2PFKFB3
SCHEMBL13107001 0.87 LMNA (0.49) BCL9CTNNB1
SCHEMBL1769253 0.87 CHEK2 (0.56) SCN9AALOX5APFEN1CHEK2KDM1A
SCHEMBL22265848 0.87 SLC2A1 (0.55) ALOX5APFEN1CHEK2GPR119SLC2A1
SCHEMBL3443784 0.87 CHEK2 (0.56) SCN9AALOX5APFEN1CHEK2KDM1A
SCHEMBL3443787 0.87 CHEK2 (0.56) SCN9AALOX5APFEN1CHEK2KDM1A
SCHEMBL18185607 0.85 HCRTR1 (0.48)
SCHEMBL3324264 0.84 SCN9A (0.54) SCN9AALOX5APFEN1CHEK2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 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 (2 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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 SCN9A 4038/4885ALOX5AP 598/4885FEN1 1994/4885
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 SCN9A 593/4885ALOX5AP 322/4885FEN1 4773/4885

“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.