SCHEMBL4516830

SCHEMBL4516830

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C(C)c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
CNR1 P21554 4/20 0.41
HIF1A Q16665 2/20 0.40
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SRC P12931 1/20 0.38
HTR6 P50406 1/20 0.37
PSD A5PKW4 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4525568 0.88 MAT2A (0.38) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4516843 0.88 SRC (0.41) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4528475 0.87 MAT2A (0.38) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4522660 0.86 CDK1 (0.39) CNR1
SCHEMBL4530645 0.85 CNR1 (0.38) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4520524 0.82 CNR1 (0.37) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4519920 0.81 MAT2A (0.38) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL1993358 0.81 CNR1 (0.43) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4517600 0.81 CNR1 (0.38) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4520999 0.80 NPC1 (0.44) PDE4APDE4BPDE4CPDE4DCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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 (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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 PDE4A 846/4885PDE4B 954/4885PDE4C 1249/4885

“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.