SCHEMBL4457006

SCHEMBL4457006

COC(=O)c1cc(C#N)cnc1Oc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 2/20 0.47
PTGER4 P35408 8/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER2 P43116 2/20 0.41
DAPK1 P53355 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL4456844 0.86 PTGER4 (0.47) HPGDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL4449431 0.84 PTGER4 (0.57) HPGDCYP1A2PTGER4TDP1L3MBTL1
SCHEMBL4444906 0.83 PTGER4 (0.64) HPGDCYP3A4PTGER4MEN1KMT2A
SCHEMBL8272696 0.81 HPGD (0.51) HPGDCYP1A2PTGER4TDP1L3MBTL1
SCHEMBL4456353 0.81 HPGD (0.51) HPGDCYP1A2PTGER4TDP1L3MBTL1
SCHEMBL4447295 0.81 HPGD (0.51) HPGDCYP1A2PTGER4TDP1L3MBTL1
SCHEMBL4447327 0.79 KMT2A (0.55) HPGDPTGER4TDP1KMT2A
SCHEMBL8272698 0.79 PTGER4 (0.59) HPGDPTGER4MEN1KMT2APTGER2
SCHEMBL27300783 0.78 CYP1A2 (0.55) HPGDCYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL4447247 0.76 PTGER4 (0.78) CYP3A4PTGER4PTGER2

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-1663979-B1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2013-10-09 EP disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1663979-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2006-06-07 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
US-20050065188-A1 Aryl or heteroaryl amide compounds ASKAT INC. (JP) 2005-03-24 US disclosed
WO-2005021508-A1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER INC. (US) 2005-03-10 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 (2 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-20050065188-A1 Aryl or heteroaryl amide compounds HRH2, PTGER1, LTB4R2 HPGD 215/4885CYP1A2 102/4885CYP2C19 229/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 HPGD 1265/4885CYP1A2 1834/4885CYP2C19 2251/4885

“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.