SCHEMBL9900531

SCHEMBL9900531

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Nc4ccc(F)cc4)C3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.40
GRM4 Q14833 1/20 0.38
CTSS P25774 1/20 0.38
IDO1 P14902 2/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
MAST3 O60307 1/20 0.36
MAPK8 P45983 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CHRM4 P08173 2/20 0.35
AKT1 P31749 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL9900411 0.91 OPRK1 (0.38) OPRK1GRM4CTSSNPC1RAB9A
SCHEMBL15294769 0.91 OPRK1 (0.39) OPRK1CTSSIDO1BRD4BRD2
SCHEMBL9900176 0.91 PTGER4 (0.41) GRM4CTSSMAST3MAPK8HSD17B13
SCHEMBL9901535 0.90 GRM4 (0.38) OPRK1GRM4CTSSIDO1NPC1
SCHEMBL9900472 0.89 GRM4 (0.38) OPRK1GRM4CTSSIDO1MAST3
SCHEMBL9900686 0.89 SCN10A (0.43)
SCHEMBL9900687 0.88 SCN9A (0.43) OPRK1
SCHEMBL9900369 0.86 PTGER4 (0.41) OPRK1
SCHEMBL9902025 0.86 SCN9A (0.41) OPRK1CTSSIDO1
SCHEMBL9900923 0.85 HSD17B13 (0.38) OPRK1CTSSIDO1HSD17B13AKT1

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 11 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
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 (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 OPRK1 26/4885GRM4 278/4885CTSS 1555/4885

“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.