SCHEMBL4513362

SCHEMBL4513362

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C3Cc4ccccc4C3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
HIF1A Q16665 3/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
BRCA1 P38398 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 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
SCHEMBL4530720 0.93 DRD1 (0.41) CNR1DRD1DRD5HIF1APDE4A
SCHEMBL4510801 0.87 DDR1 (0.35) CNR1DRD1DRD5
SCHEMBL4421685 0.86 DRD1 (0.51) CNR1DRD1DRD5HIF1ACYP1A2
SCHEMBL4514027 0.86 DRD1 (0.46) CNR1DRD1DRD5HIF1APDE4A
SCHEMBL4413685 0.85 DRD1 (0.52) CNR1DRD1DRD5
SCHEMBL4523465 0.84 DRD1 (0.43) CNR1DRD1DRD5HIF1APDE4A
SCHEMBL4522200 0.82 DRD1 (0.41) CNR1DRD1DRD5HIF1APDE4A
SCHEMBL3185701 0.82 DRD1 (0.41) CNR1DRD1DRD5HIF1APDE4A
SCHEMBL3176808 0.82 DRD1 (0.41) CNR1DRD1DRD5HIF1APDE4A
SCHEMBL3185708 0.82 DRD1 (0.41) CNR1DRD1DRD5HIF1APDE4A

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 18/4885DRD1 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.