SCHEMBL2171208

SCHEMBL2171208

O=C(O)C(=O)C1CCCc2cccnc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2 P00734 1/20 0.35
F12 P00748 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CRBN Q96SW2 1/20 0.33
TSHR P16473 1/20 0.33
PTAFR P25105 1/20 0.33

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
SCHEMBL3147432 0.81 P2RX7 (0.38) P2RX7HDAC1HDAC6F2F12
SCHEMBL27674615 0.80 KDM4E (0.40) P2RX7KDM4ETDP1HTR1ADRD2
SCHEMBL2597816 0.75 HDAC1 (0.46) P2RX7HDAC1HDAC6F2F12
SCHEMBL10271351 0.75 GAA (0.39) P2RX7HDAC1HDAC6KDM4ETDP1
SCHEMBL26120675 0.72 P2RX7 (0.39) P2RX7KDM4EHTR1ADRD2HTR2A
SCHEMBL30557077 0.72 P2RX7 (0.39) P2RX7KDM4EHTR1ADRD2HTR2A
SCHEMBL22302861 0.72 DDB1 (0.50) P2RX7MEN1MAPTKMT2ACRBN
SCHEMBL9770662 0.71 MCL1 (0.49) P2RX7HDAC1HDAC6KDM4EF2
SCHEMBL11884611 0.71 HTT (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1CRBN
SCHEMBL29640806 0.71 HDAC1 (0.45) P2RX7HDAC1HDAC6F2F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 P2RX7 313/4885HDAC1 1014/4885HDAC6 1644/4885

“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.