SCHEMBL4559848

SCHEMBL4559848

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(CC3CCSCC3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.47
DRD5 P21918 6/20 0.47
CNR1 P21554 2/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
PRKCA P17252 2/20 0.33
CDK1 P06493 2/20 0.33
CNR2 P34972 1/20 0.33
AOC3 Q16853 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
SCHEMBL4427346 0.91 DRD1 (0.53) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4521319 0.90 DRD1 (0.46) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4506947 0.90 DRD1 (0.55) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4519246 0.89 DRD1 (0.45) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4521605 0.87 DRD1 (0.43) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4514450 0.83 DRD1 (0.38) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4529739 0.79 PDE4A (0.40) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4522408 0.78 CNR1 (0.39) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4529595 0.78 TSHR (0.39) DRD1DRD5CNR1TSHRLMNA
SCHEMBL4413462 0.78 CDK1 (0.38) DRD1DRD5TSHRLMNAKMT2A

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

“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.