SCHEMBL9901281

SCHEMBL9901281

COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4ccc(C(F)(F)F)cc4)C3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGER4 P35408 2/20 0.43
PTGDR Q13258 2/20 0.43
SCN9A Q15858 3/20 0.42
ACACB O00763 2/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
PDE2A O00408 4/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGFR P43088 1/20 0.38

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
SCHEMBL9900742 0.94 CYP2C9 (0.49) SCN10ASMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL9900213 0.93 SCN10A (0.48) SCN10ASMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL9901088 0.92 PTGER4 (0.52) SCN10APTGER4PTGDRSCN9AACACB
SCHEMBL9900781 0.92 PTGER4 (0.45) SCN10ASMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL9900687 0.91 SCN9A (0.43) SMN1; SMN2MAPTCYP2C9CYP2C19PTGER4
SCHEMBL9900830 0.90 ACACB (0.39) SCN10ASMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL9901382 0.90 CYP3A4 (0.43) SMN1; SMN2MAPTSCN9AACACBKDM4E
SCHEMBL9900813 0.89 SCN10A (0.49) SCN10ASMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL9901802 0.89 SCN9A (0.39) SMN1; SMN2MAPTCYP2C9CYP2C19SCN9A
SCHEMBL9900153 0.88 SCN9A (0.44) SMN1; SMN2MAPTCYP2C9CYP2C19PTGER4

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 SCN10A 453/4885SMN1; SMN2 3855/4885MAPT 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.