SCHEMBL9900898

SCHEMBL9900898

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3Cl)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPK1 P28482 2/20 0.38
IP6K1 Q92551 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGDR Q13258 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
RECQL P46063 1/20 0.38
IDO1 P14902 1/20 0.37
MAP2K4 P45985 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.36
CYP3A4 P08684 2/20 0.36
FLT1 P17948 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
SCHEMBL9923402 0.84 OPRK1 (0.48) MEN1KMT2AROCK2ROCK1KDM4E
SCHEMBL5361283 0.80 PTGER4 (0.56) PTGER4
SCHEMBL9900923 0.79 HSD17B13 (0.38) HDAC3HDAC1HDAC2HDAC6PTGER4
SCHEMBL9901382 0.79 CYP3A4 (0.43) MAPK1ROCK2ROCK1KDM4ECYP3A4
SCHEMBL9900687 0.77 SCN9A (0.43) PTGER4CYP2C19SMN1; SMN2MAPT
SCHEMBL9901802 0.77 SCN9A (0.39) CYP2C19SMN1; SMN2MAPT
SCHEMBL9901791 0.77 F9 (0.37) HDAC3HDAC1HDAC2HDAC6PTGER4
SCHEMBL9900531 0.77 OPRK1 (0.40) IDO1NPC1RAB9A
SCHEMBL9901212 0.77 OPRK1 (0.45) MAPK1ROCK2ROCK1KDM4ECYP3A4
SCHEMBL9900978 0.77 KDM4E (0.46) MEN1KMT2AMAPK1ROCK2ROCK1

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 MEN1 1489/4885KMT2A 2687/4885HDAC3 266/4885

“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.