SCHEMBL4530645

SCHEMBL4530645

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C(C)c3c(F)cccc3F)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.38
HIF1A Q16665 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CDK1 P06493 1/20 0.35
PRKCA P17252 1/20 0.35
GRM1 Q13255 1/20 0.35
NPC1 O15118 2/20 0.35
YTHDC1 Q96MU7 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL4517600 0.94 CNR1 (0.38) CNR1HIF1APDE4APDE4BPDE4C
SCHEMBL4525568 0.85 MAT2A (0.38) CNR1HIF1APDE4APDE4BPDE4C
SCHEMBL4516843 0.85 SRC (0.41) CNR1HIF1APDE4APDE4BPDE4C
SCHEMBL4516830 0.85 PDE4A (0.42) CNR1HIF1APDE4APDE4BPDE4C
SCHEMBL4528475 0.84 MAT2A (0.38) CNR1HIF1APDE4APDE4BPDE4C
SCHEMBL4525582 0.84 CDK1 (0.38) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL4519920 0.83 MAT2A (0.38) CNR1HIF1APDE4APDE4BPDE4C
SCHEMBL4514724 0.82 CNR1 (0.37) CNR1HIF1APDE4APDE4BPDE4C
SCHEMBL4522660 0.82 CDK1 (0.39) CNR1CDK1PRKCATP53
SCHEMBL4515108 0.81 CNR1 (0.38) CNR1HIF1APDE4APDE4BPDE4C

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-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
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 CNR1 18/4885HIF1A 775/4885PDE4A 846/4885

“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.