SCHEMBL4510077

SCHEMBL4510077

O=c1c2ncsc2nc(CCCC(F)(F)F)n1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
GRM1 Q13255 3/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 4/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
MAT2A P31153 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CNR2 P34972 1/20 0.31
MIF P14174 1/20 0.30
TLR8 Q9NR97 1/20 0.30
AOC2 O75106 1/20 0.30

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
SCHEMBL4520411 0.97 GRM1 (0.35) PDE10AGRM1GRM5LMNAMAPK1
SCHEMBL4434730 0.82 PDE10A (0.34) PDE10AGRM1GRM5LMNAPOLB
SCHEMBL4520925 0.80 DRD1 (0.37) PDE10AGRM1LMNAPOLBCNR1
SCHEMBL4517383 0.77 CNR1 (0.37) PDE10AGRM1LMNAMAPK1POLB
SCHEMBL4512837 0.77 CNR1 (0.46) PDE10ALMNAMAPK1CNR1CNR2
SCHEMBL4516570 0.77 POLB (0.41) PDE10AGRM1GRM5LMNAMAPK1
SCHEMBL4520786 0.77 CNR1 (0.39) PDE10ALMNAMAPK1POLBCNR1
SCHEMBL4510786 0.76 MIF (0.34) GRM1POLBEP300CREBBPKAT2A
SCHEMBL4506370 0.75 MIF (0.34) GRM1LMNAPOLBEP300CREBBP
SCHEMBL4518633 0.74 CNR1 (0.36) PDE10AGRM1GRM5LMNAMAPK1

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 PDE10A 1460/4885GRM1 73/4885GRM5 203/4885

“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.