SCHEMBL9900728

SCHEMBL9900728

CC(C)(C)OC(=O)N1CCCC1COc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.51
FEN1 P39748 1/20 0.51
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
RIPK1 Q13546 1/20 0.47
SSTR4 P31391 1/20 0.46
METAP2 P50579 1/20 0.45

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
SCHEMBL4666689 1.00 ALOX5AP (0.51) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL9241908 1.00 ALOX5AP (0.51) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL2264753 0.89 ALOX5AP (0.49) ALOX5APFEN1CHRNB4CHRNA3
SCHEMBL8240624 0.87 ALOX5AP (0.51) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL13801184 0.87 ALOX5AP (0.52) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL8247133 0.87 ALOX5AP (0.51) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL938053 0.86 ABHD6 (0.50) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL938055 0.86 ABHD6 (0.50) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL27936838 0.86 ABHD6 (0.50) ALOX5APFEN1CHRNB4CHRNA3CHRNB2
SCHEMBL5152838 0.86 CHRNB4 (0.49) ALOX5APFEN1CHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 ALOX5AP 322/4885FEN1 4773/4885CHRNB4 269/4885

“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.