SCHEMBL9900283

SCHEMBL9900283

COC(=O)c1cc(Cl)cnc1N1CCCC1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
MAPK10 P53779 1/20 0.51
DYRK1A Q13627 1/20 0.47
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.42
MCHR1 Q99705 1/20 0.42
TSHR P16473 1/20 0.41
NAPEPLD Q6IQ20 1/20 0.41
ATM Q13315 2/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
MAPT P10636 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9900614 0.89 DYRK1A (0.43) ALDH1A1KDM4EHPGDMAPK10DYRK1A
SCHEMBL9900583 0.82 ALDH1A1 (0.58) OPRK1ALDH1A1KDM4EHPGDMAPK10
SCHEMBL9900762 0.78 PTGER4 (0.42) ALDH1A1KDM4EHPGDMAPK10DYRK1A
SCHEMBL9900223 0.72 OPRK1 (0.54) OPRK1ALDH1A1KDM4EHPGDMAPK10
SCHEMBL9901274 0.72 OPRK1 (0.60) OPRK1
SCHEMBL9900489 0.71 OPRK1 (0.59) OPRK1
SCHEMBL21170850 0.71 OPRK1 (0.74) OPRK1
SCHEMBL9901415 0.70 SCN9A (0.51) ALDH1A1KDM4EHPGDMAPK10SMN1; SMN2
SCHEMBL9900880 0.69 OPRK1 (0.61) OPRK1
SCHEMBL9900978 0.68 KDM4E (0.46) OPRK1ALDH1A1KDM4EHPGDMAPK10

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 26/4885ALDH1A1 1412/4885KDM4E 1389/4885

“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.