SCHEMBL3344616

SCHEMBL3344616

COC[C@H](O)Cn1c(=O)cnn(-c2ccc(C)c(N)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.53
TP53 P04637 1/20 0.35
NPBWR1 P48145 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK14 Q16539 2/20 0.32
GAK O14976 1/20 0.32
LCK P06239 1/20 0.32
CYP3A4 P08684 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL3344607 0.88 P2RX7 (0.56) P2RX7TP53NPBWR1GRIN1GRIN2B
SCHEMBL1463308 0.82 P2RX7 (0.50) P2RX7GRIN1GRIN2B
SCHEMBL1226676 0.80 P2RX7 (0.49) P2RX7GRIN1GRIN2BALDH1A1
SCHEMBL1226678 0.80 P2RX7 (0.49) P2RX7GRIN1GRIN2BALDH1A1
SCHEMBL3346722 0.80 P2RX7 (0.44) P2RX7NPBWR1MAPTALDH1A1NPSR1
SCHEMBL3347963 0.79 P2RX7 (0.38) P2RX7NPBWR1MAPTALDH1A1NPSR1
SCHEMBL5179812 0.79 P2RX7 (0.68) P2RX7NPBWR1ALDH1A1NPSR1TSHR
SCHEMBL5179804 0.79 P2RX7 (0.68) P2RX7NPBWR1ALDH1A1NPSR1TSHR
SCHEMBL5179567 0.79 P2RX7 (0.68) P2RX7MAPTALDH1A1NPSR1GAA
SCHEMBL5179574 0.79 P2RX7 (0.68) P2RX7MAPTALDH1A1NPSR1GAA

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-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 P2RX7 8/4885TP53 1738/4885NPBWR1 101/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 P2RX7 2/4885TP53 1641/4885NPBWR1 127/4885

“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.