SCHEMBL9900742

SCHEMBL9900742

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CCC(Oc4ccc(C(F)(F)F)cc4)C3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACACB O00763 4/20 0.45
LIPG Q9Y5X9 3/20 0.44
LPL P06858 1/20 0.44
GAA P10253 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
OPRK1 P41145 4/20 0.42
PTGER4 P35408 1/20 0.42
PTGDR Q13258 1/20 0.42
LIPC P11150 1/20 0.40
SCN9A Q15858 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PDE2A O00408 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
SCHEMBL9901281 0.94 SCN10A (0.47) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL9900109 0.93 PTGER4 (0.49) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL9900666 0.92 SCN10A (0.46) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL9900451 0.92 OPRK1 (0.43) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL9900018 0.90 OPRK1 (0.44) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL15297835 0.90 OPRK1 (0.42) CYP2C9CYP2C19MAPTSMN1; SMN2ACACB
SCHEMBL9900213 0.87 SCN10A (0.48) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL15283287 0.87 OPRK1 (0.42) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL9923526 0.87 OPRK1 (0.42) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL9900754 0.87 OPRK1 (0.42) CYP2C9CYP2C19MAPTSMN1; SMN2KDM4E

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 9 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
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
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 CYP2C9 657/4885CYP2C19 605/4885MAPT 4710/4885

“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.