SCHEMBL4520124

SCHEMBL4520124

O=c1c2ncn(C3CC3)c2nc(CC2CCCCC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.53
DRD5 P21918 5/20 0.53
CNR1 P21554 2/20 0.47
CTSL P07711 1/20 0.43
PDGFRA P16234 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 3/20 0.40
GRM1 Q13255 1/20 0.40
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
CDK1 P06493 1/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36

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
SCHEMBL4506947 0.84 DRD1 (0.55) DRD1DRD5CNR1CCNE1CDK2
SCHEMBL4427346 0.83 DRD1 (0.53) DRD1DRD5CNR1CCNE1CDK2
SCHEMBL4515827 0.79 CNR1 (0.39) DRD1DRD5CNR1CTSLPDGFRA
SCHEMBL4530016 0.79 CNR1 (0.39) DRD1DRD5CNR1CTSLPDGFRA
SCHEMBL4520737 0.78 CNR1 (0.38) DRD1DRD5CNR1CTSLPDGFRA
SCHEMBL4520425 0.78 CNR1 (0.38) DRD1DRD5CNR1CTSLPDGFRA
SCHEMBL4505934 0.77 CNR1 (0.38) DRD1DRD5CNR1CTSLFLT3
SCHEMBL4509906 0.77 DRD1 (0.50) DRD1DRD5CNR1GRM1CDK1
SCHEMBL4517228 0.77 CSNK1E (0.41) DRD1DRD5CNR1CTSLPDGFRA
SCHEMBL4521436 0.77 FLT3 (0.39) DRD1DRD5CNR1CTSLPDGFRA

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 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.