SCHEMBL9900665

SCHEMBL9900665

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCCC3COc3cccc(F)c3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
CTSS P25774 1/20 0.37
CHRNB2 P17787 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK10 P53779 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
CHRM3 P20309 2/20 0.35
MAP4K1 Q92918 1/20 0.35
OPRK1 P41145 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
SCHEMBL9900662 1.00 METAP2 (0.42) METAP2PTGER4PTGER2CTSSCHRNB2
SCHEMBL9901393 1.00 METAP2 (0.42) METAP2PTGER4PTGER2CTSSCHRNB2
SCHEMBL9900699 0.93 PTGER4 (0.43) METAP2PTGER4PTGER2CTSSCHRNB2
SCHEMBL9900624 0.93 PTGER4 (0.43) METAP2PTGER4PTGER2CTSSCHRNB2
SCHEMBL9900622 0.93 PTGER4 (0.43) METAP2PTGER4PTGER2CTSSCHRNB2
SCHEMBL9900054 0.89 OPRK1 (0.40) PTGER4PTGER2CTSSMRGPRX4OPRK1
SCHEMBL9900780 0.86 CTSS (0.41) CTSSMRGPRX4OPRK1
SCHEMBL9923525 0.85 SCN9A (0.43) PTGER4PTGER2CTSSMRGPRX4OPRK1
SCHEMBL9900089 0.84 KDM4E (0.41) PTGER4CHRNB2KDM4EALDH1A1HPGD
SCHEMBL9901009 0.82 PTGER4 (0.41) PTGER4PTGER2CTSSOPRK1

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 METAP2 3335/4885PTGER4 1/4885PTGER2 6/4885

“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.