SCHEMBL9900566

SCHEMBL9900566

Fc1ccc(NC2CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRL1 P41146 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CACNA1B Q00975 2/20 0.44
ATM Q13315 2/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNA1C Q13936 1/20 0.44
LMNA P02545 3/20 0.41
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL2912672 0.89 KMT2A (0.43) OPRM1OPRD1MEN1KMT2ACACNA1B
SCHEMBL24238330 0.79 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL22244808 0.78 CHRM2 (0.49) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL9904612 0.78 GAA (0.47) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL20148045 0.77 GFER (0.40) KMT2AMAPTCYP3A4MAPK1NPSR1
SCHEMBL24238306 0.76 OPRD1 (0.48) OPRD1MEN1KMT2ACACNA1BCACNA2D1
SCHEMBL24238301 0.76 OPRD1 (0.48) OPRD1MEN1KMT2ACACNA1BCACNA2D1
SCHEMBL6774627 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL1104991 0.73 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL1221639 0.73 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1MEN1

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 OPRM1 10/4885OPRD1 33/4885OPRK1 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.