SCHEMBL4523241

SCHEMBL4523241

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3F)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
YTHDC1 Q96MU7 1/20 0.35
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
HIF1A Q16665 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
NPC1 O15118 3/20 0.35
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4521820 0.92 PDE4A (0.40) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4520110 0.92 SMN1; SMN2 (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4525993 0.89 DRD1 (0.37) CNR1DRD1DRD5NPC1TSHR
SCHEMBL4515108 0.89 CNR1 (0.38) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4522632 0.86 HKDC1 (0.39) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4532511 0.86 CNR1 (0.45) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4522510 0.85 GSR (0.40) CNR1YTHDC1NPC1TSHRLMNA
SCHEMBL4521476 0.85 GSR (0.39) CNR1NPC1TSHRLMNAXBP1
SCHEMBL4521238 0.85 YTHDC1 (0.47) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4525433 0.84 POLB (0.37) CNR1PDE4APDE4BPDE4CPDE4D

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 18/4885PDE4A 846/4885PDE4B 954/4885

“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.