SCHEMBL13209286

SCHEMBL13209286

CC(C)c1ncc(-c2ccccc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.44
ALOX5AP P20292 6/20 0.44
NPSR1 Q6W5P4 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TRPA1 O75762 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
GRIA4 P48058 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL27195839 0.83 FEN1 (0.40) FEN1ALOX5AP
SCHEMBL15044971 0.79 LCK (0.41) FEN1ALOX5APNPC1CASP3SENP8
SCHEMBL11951663 0.79 NPSR1 (0.45) FEN1ALOX5APNPSR1PTPRCPTPN1
SCHEMBL25763794 0.79 FEN1 (0.47) FEN1ALOX5APPTPRCPTPN1NPC1
SCHEMBL13227635 0.79 FEN1 (0.47) FEN1ALOX5APNPC1L3MBTL1CASP3
SCHEMBL25763723 0.78 CYP2A6 (0.47) FEN1ALOX5APNPC1L3MBTL1TRPA1
SCHEMBL25764676 0.75 PPARG (0.42) NPC1L3MBTL1AKR1C3AKR1C2KDM4E
SCHEMBL30776664 0.75 FEN1 (0.47) FEN1ALOX5APPTPRCPTPN1NPC1
SCHEMBL3010688 0.75 FEN1 (0.71) FEN1ALOX5AP
SCHEMBL17436090 0.75 FEN1 (0.47) FEN1ALOX5APPTPRCPTPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 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

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R FEN1 4775/4885ALOX5AP 1069/4885NPSR1 21/4885
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders NPY5R, NPY1R, NPY4R FEN1 3985/4885ALOX5AP 355/4885NPSR1 41/4885

“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.