SCHEMBL4018259

SCHEMBL4018259

Fc1ccc(-c2ccccc2F)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
NPC1 O15118 7/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
MPL P40238 1/20 0.44
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL4023321 0.79 MEN1 (0.49) IDO1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3169750 0.79 IDO1 (0.43) IDO1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9956332 0.79 FEN1 (0.55) IDO1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13750512 0.79 NPC1 (0.46) IDO1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30948264 0.75 IL4I1 (0.45) IDO1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13729165 0.75 NPC1 (0.43) IDO1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL34461976 0.72 GABRG2 (0.47) IDO1NPC1ALDH1A1RAB9AMPL
SCHEMBL28211033 0.72 GABRG2 (0.47) IDO1NPC1ALDH1A1RAB9AMPL
SCHEMBL8894535 0.71 NOTUM (0.43) IDO1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29746148 0.71 AR (0.54) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R IDO1 1346/4885NPC1 730/4885ALDH1A1 3958/4885

“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.