SCHEMBL9901382

SCHEMBL9901382

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4ccccc4)C3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
OPRD1 P41143 2/20 0.39
KCNH2 Q12809 2/20 0.39
OPRK1 P41145 4/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
SCN9A Q15858 3/20 0.38
ATM Q13315 1/20 0.37
ACACB O00763 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
SCHEMBL9900018 0.94 OPRK1 (0.44) CYP3A4KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL9900804 0.92 PTGER4 (0.41) OPRD1KCNH2ROCK2ROCK1SCN9A
SCHEMBL9900687 0.92 SCN9A (0.43) MAPTSMN1; SMN2OPRK1SCN9A
SCHEMBL9900400 0.91 SCN9A (0.42) CYP3A4KDM4EHSD17B10MAPTOPRK1
SCHEMBL9900153 0.90 SCN9A (0.44) CYP3A4KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL15297497 0.90 ROCK2 (0.37) CYP3A4KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL9901281 0.90 SCN10A (0.47) CYP3A4KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL9901802 0.89 SCN9A (0.39) MAPTSMN1; SMN2OPRK1SCN9AACACB
SCHEMBL9900781 0.89 PTGER4 (0.45) CYP3A4KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL15297833 0.89 SCN9A (0.38) CYP3A4KDM4EHSD17B10MAPTSMN1; SMN2

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 CYP3A4 456/4885KDM4E 1389/4885HSD17B10 2775/4885

“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.