SCHEMBL4518633

SCHEMBL4518633

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(CCCCC(F)(F)F)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
PDE10A Q9Y233 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAT2A P31153 2/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.33
AOC2 O75106 1/20 0.33
NPC1 O15118 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
POLB P06746 1/20 0.32
HKDC1 Q2TB90 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
SCHEMBL4517383 0.97 CNR1 (0.37) CNR1DRD1DRD5PDE10ALMNA
SCHEMBL4525318 0.93 CNR1 (0.38) CNR1DRD1DRD5PDE10ALMNA
SCHEMBL4506382 0.89 CNR1 (0.39) CNR1DRD1DRD5PDE10ALMNA
SCHEMBL4515222 0.87 HKDC1 (0.41) PDE10ALMNATSHRMAOBMAOA
SCHEMBL4524872 0.87 CNR1 (0.45) CNR1DRD1DRD5PDE10ALMNA
SCHEMBL4511508 0.86 DRD1 (0.36) CNR1DRD1DRD5PDE10ALMNA
SCHEMBL4520690 0.86 PDE4A (0.41) DRD1DRD5PDE10ALMNAMAPK1
SCHEMBL4520786 0.85 CNR1 (0.39) CNR1DRD1DRD5PDE10ALMNA
SCHEMBL4524975 0.85 HIF1A (0.42) CNR1DRD1DRD5LMNATSHR
SCHEMBL4520603 0.85 DRD1 (0.38) CNR1DRD1DRD5PDE10ALMNA

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 CNR1 18/4885DRD1 333/4885DRD5 695/4885

“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.