SCHEMBL9900089

SCHEMBL9900089

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCCC3Cc3ccccc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK10 P53779 1/20 0.41
DYRK1A Q13627 1/20 0.40
OPRK1 P41145 5/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.36
MCHR1 Q99705 1/20 0.36
HRH1 P35367 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA5 P30532 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
SLC6A9 P48067 1/20 0.35
OPRD1 P41143 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9900762 0.92 PTGER4 (0.42) KDM4EALDH1A1HPGDMAPK10DYRK1A
SCHEMBL9900978 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDMAPK10DYRK1A
SCHEMBL9900283 0.84 OPRK1 (0.52) KDM4EALDH1A1HPGDMAPK10DYRK1A
SCHEMBL9900662 0.84 METAP2 (0.42) KDM4EALDH1A1HPGDMAPK10OPRK1
SCHEMBL9900665 0.84 METAP2 (0.42) KDM4EALDH1A1HPGDMAPK10OPRK1
SCHEMBL9901393 0.84 METAP2 (0.42) KDM4EALDH1A1HPGDMAPK10OPRK1
SCHEMBL9923402 0.80 OPRK1 (0.48) KDM4EOPRK1ROCK2ROCK1OPRD1
SCHEMBL9901382 0.79 CYP3A4 (0.43) KDM4EOPRK1ROCK2ROCK1OPRD1
SCHEMBL9901212 0.79 OPRK1 (0.45) KDM4EOPRK1ROCK2ROCK1OPRD1
SCHEMBL9900684 0.78 SCN9A (0.45) KDM4EALDH1A1HPGDMAPK10SLC6A9

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 KDM4E 1389/4885ALDH1A1 1412/4885HPGD 756/4885

“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.