SCHEMBL9900054

SCHEMBL9900054

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCCC(COc4cccc(F)c4)C3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.40
CTSS P25774 1/20 0.40
SCN9A Q15858 1/20 0.39
ABL1 P00519 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
HCRTR1 O43613 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9900780 0.96 CTSS (0.41) OPRK1CTSSSCN9AABL1MRGPRX4
SCHEMBL9923525 0.94 SCN9A (0.43) OPRK1CTSSSCN9AABL1MRGPRX4
SCHEMBL9901009 0.94 PTGER4 (0.41) OPRK1CTSSSCN9AABL1PTGER4
SCHEMBL9900771 0.90 CTSS (0.42) OPRK1CTSSSCN9AABL1PTGER4
SCHEMBL9900662 0.89 METAP2 (0.42) OPRK1CTSSMRGPRX4PTGER4PTGER2
SCHEMBL9900665 0.89 METAP2 (0.42) OPRK1CTSSMRGPRX4PTGER4PTGER2
SCHEMBL9901393 0.89 METAP2 (0.42) OPRK1CTSSMRGPRX4PTGER4PTGER2
SCHEMBL9923526 0.88 OPRK1 (0.42) OPRK1CTSSSCN9AABL1PTGER4
SCHEMBL15283287 0.88 OPRK1 (0.42) OPRK1CTSSSCN9AABL1PTGER4
SCHEMBL9900754 0.88 OPRK1 (0.42) OPRK1CTSSSCN9AABL1PTGER4

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 26/4885CTSS 1555/4885SCN9A 593/4885

“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.