SCHEMBL2120243

SCHEMBL2120243

FC(F)(F)c1ccn2c(Cl)c(C[C@@H]3CCCCN3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
POLB P06746 1/20 0.36
SCN9A Q15858 1/20 0.34
IL1B P01584 2/20 0.34
USP7 Q93009 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL2616550 0.80 LTA4H (0.38) LTA4HPOLB
SCHEMBL2124369 0.79 POLB (0.47) LTA4HPOLB
SCHEMBL2122080 0.76 LTA4H (0.42) LTA4HDRD2DRD3IDO1TDO2
SCHEMBL2120480 0.75 LTA4H (0.41) LTA4HPOLB
SCHEMBL4167672 0.74 RHOC (0.38)
SCHEMBL312388 0.73 POLB (0.39) LTA4HPOLB
SCHEMBL2122869 0.70 METTL3 (0.38) DRD2DRD3
SCHEMBL2123143 0.70 POLB (0.41) LTA4HPOLB
SCHEMBL3347781 0.67 POLB (0.60) LTA4HDRD2DRD3POLB
SCHEMBL3645245 0.67 POLB (0.60) LTA4HDRD2DRD3POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
WO-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 LTA4H 1443/4885DRD2 198/4885DRD3 277/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 LTA4H 2134/4885DRD2 2086/4885DRD3 2279/4885

“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.