SCHEMBL3344607

SCHEMBL3344607

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.56
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK14 Q16539 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 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
CYP2D6 P10635 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
SCHEMBL3344616 0.88 P2RX7 (0.53) P2RX7RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL5180441 0.82 P2RX7 (0.68) P2RX7RAB9ASMN1; SMN2LMNAMAPK14
SCHEMBL5179567 0.82 P2RX7 (0.68) P2RX7SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL5179574 0.82 P2RX7 (0.68) P2RX7SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL5179812 0.82 P2RX7 (0.68) P2RX7SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL5179804 0.82 P2RX7 (0.68) P2RX7SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL3346714 0.82 P2RX7 (0.50) P2RX7RAB9ASMN1; SMN2LMNATSHR
SCHEMBL5181870 0.81 P2RX7 (0.69) P2RX7SMN1; SMN2LMNATSHRKDM4E
SCHEMBL5181102 0.81 P2RX7 (0.69) P2RX7SMN1; SMN2LMNATSHRKDM4E
SCHEMBL3472359 0.81 P2RX7 (0.57) P2RX7LMNATP53HPGD

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 8/4885RAB9A 1850/4885SMN1; SMN2 2819/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 P2RX7 2/4885RAB9A 1568/4885SMN1; 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.