SCHEMBL5427490

SCHEMBL5427490

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(NCc3csc(C(F)(F)F)n3)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
MAPT P10636 3/20 0.33
CTSL P07711 1/20 0.33
NPC1 O15118 2/20 0.32
TSHR P16473 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCHR1 Q99705 1/20 0.32
POLB P06746 2/20 0.31
TRPA1 O75762 1/20 0.31
HIF1A Q16665 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL5437492 0.88 MEN1 (0.41) CNR1MAPTCTSLNPC1TSHR
SCHEMBL5435078 0.80 PDE4B (0.35) MAPTNPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL5431779 0.80 CNR1 (0.39) CNR1MAPTNPC1TSHRRAB9A
SCHEMBL5428532 0.78 CA2 (0.39) MAPTNPC1SMN1; SMN2CDK1
SCHEMBL5427488 0.78 CNR1 (0.33) CNR1MAPTNPC1TSHRSMN1; SMN2
SCHEMBL5428456 0.77 TRPA1 (0.43) CNR1MAPTSMN1; SMN2TRPA1LMNA
SCHEMBL5438227 0.77 PPARG (0.42) MAPTTSHRCDK2CYP1A2HPGD
SCHEMBL4099250 0.75 MCHR1 (0.40) CNR1NPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL5428540 0.74 MEN1 (0.38) NPC1TSHRRAB9ASMN1; SMN2MEN1
SCHEMBL5429799 0.74 GRM1 (0.39) CNR1MAPTNPC1TSHRCCNE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US claimed
CN-1902201-A Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) MERCK SHARP & DOHME (GB) 2007-01-24 CN claimed
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP claimed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO claimed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US disclosed
CN-1902201-A Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) MERCK SHARP & DOHME (GB) 2007-01-24 CN 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 CNR1 26/4885MAPT 4636/4885CTSL 4595/4885

“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.