SCHEMBL9900876

SCHEMBL9900876

COC(=O)c1cc(Cl)cnc1N1CC(Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.53
ACACB O00763 8/20 0.52
OPRK1 P41145 4/20 0.50
SCN9A Q15858 3/20 0.49
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LIPG Q9Y5X9 2/20 0.46
LPL P06858 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9900384 0.92 ACACB (0.54) SCN10AACACBOPRK1MAPTCYP2C9
SCHEMBL9900150 0.89 SCN9A (0.49) SCN10AACACBOPRK1SCN9AMAPT
SCHEMBL9900401 0.89 LIPG (0.56) SCN10AACACBSCN9AMAPTCYP2C9
SCHEMBL9901384 0.89 OPRK1 (0.53) ACACBOPRK1SCN9A
SCHEMBL9900223 0.86 OPRK1 (0.54) ACACBOPRK1SCN9AKDM4E
SCHEMBL9901281 0.84 SCN10A (0.47) SCN10AACACBSCN9AMAPTCYP2C9
SCHEMBL9900982 0.82 OPRK1 (0.49) OPRK1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL9901493 0.82 CYP2C9 (0.52) SCN10AACACBOPRK1SCN9AMAPT
SCHEMBL9901508 0.82 OPRK1 (0.50) ACACBOPRK1SCN9A
SCHEMBL9923385 0.81 LIPG (0.64) SCN10AACACBMAPTCYP2C9CYP2C19

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 453/4885ACACB 2610/4885OPRK1 26/4885

“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.