SCHEMBL3349288

SCHEMBL3349288

COC[C@H](O)Cn1nccc(-c2ccc(C)c(N)c2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
HDAC1 Q13547 1/20 0.32
PTGER4 P35408 2/20 0.32
P2RX7 Q99572 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KIT P10721 1/20 0.32
LMNA P02545 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
PIK3CA P42336 2/20 0.31
TSHR P16473 1/20 0.31
IL36G Q9NZH8 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PIK3CD O00329 3/20 0.31

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
SCHEMBL3349282 0.87 CHUK (0.34) KDM4EALDH1A1PTGER4P2RX7LMNA
SCHEMBL1226731 0.79 KMT2A (0.31)
SCHEMBL1226640 0.79 KMT2A (0.31)
SCHEMBL6526036 0.79 PDE3B (0.38) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL3343192 0.78 P2RX7 (0.47) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL3344670 0.77 MEN1 (0.45) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL3348223 0.75 LMNA (0.44) KDM4EALDH1A1P2RX7LMNATSHR
SCHEMBL3342883 0.75 LMNA (0.44) KDM4EALDH1A1P2RX7LMNATSHR
SCHEMBL1226389 0.72 P2RX7 (0.41) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL31030379 0.70 MAPK1 (0.42) KDM4EALDH1A1LMNATSHR

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 KDM4E 2591/4885ALDH1A1 1506/4885SMN1; SMN2 2819/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 KDM4E 2728/4885ALDH1A1 1357/4885SMN1; SMN2 3020/4885

“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.