SCHEMBL4380628

SCHEMBL4380628

CC(C)(C)OC(=O)N1CC(O)C(n2ccc3c(N)cccc3c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
DTYMK P23919 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.35
USP30 Q70CQ3 1/20 0.35
NAMPT P43490 1/20 0.35
POLR1A O95602 1/20 0.35
RORC P51449 1/20 0.34
SCN9A Q15858 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL4380367 0.84 GAA (0.44) DTYMKKDM4EBRD4NAMPTPOLR1A
SCHEMBL4392206 0.83 PARP1 (0.44) PARP1KDM4E
SCHEMBL4385936 0.81 PRKCG (0.47) DTYMKKDM4EUSP30GPR119
SCHEMBL1589994 0.78 PARP1 (0.47) PARP1HDAC1HDAC2DTYMKKDM4E
SCHEMBL1589991 0.72 BACE1 (0.47) PARP1DTYMKKDM4EGPR119
SCHEMBL25939069 0.70 PRKCG (0.51) KDM4EGPR119CHRM2CHRM4CHRM1
SCHEMBL12724959 0.69 PARP1 (0.45) PARP1KDM4EBRD4NAMPT
SCHEMBL28700999 0.69 NAMPT (0.43) KDM4EBRD4USP30NAMPTRORC
SCHEMBL30861478 0.69 NAMPT (0.43) KDM4EBRD4USP30NAMPTRORC
SCHEMBL20485580 0.68 CHRM2 (0.47) DTYMKKDM4EUSP30NAMPTRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
EP-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 PARP1 1868/4885HDAC1 2168/4885HDAC2 1574/4885

“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.