SCHEMBL5429563

SCHEMBL5429563

CC(C)n1cnc2c(=O)n(-c3ccc(Cl)cc3)cnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
GRM1 Q13255 12/20 0.44
XDH P47989 1/20 0.44
GRM5 P41594 1/20 0.43
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL5429660 0.81 GRM1 (0.52) RAB9AGRM1XDHGRM5PI4KA
SCHEMBL5428705 0.78 RAB9A (0.46) RAB9AGRM1XDHGRM5PI4KA
SCHEMBL5438914 0.76 TSHR (0.49) RAB9AGRM1XDHGRM5CNR1
SCHEMBL5438383 0.74 RAB9A (0.45) RAB9AGRM1XDHGRM5PI4KA
SCHEMBL15075336 0.72 ADORA2A (0.49) PI4KAPI4K2BPI4K2API4KBCNR1
SCHEMBL5432008 0.71 RAB9A (0.42) RAB9AGRM1XDHGRM5PI4KA
SCHEMBL11812198 0.69 GRM1 (0.50) RAB9AGRM1XDHGRM5PI4KA
SCHEMBL24712834 0.69 ADORA2A (0.45) RAB9API4KAPI4K2BPI4K2API4KB
SCHEMBL24477903 0.67 ADORA2A (0.43) PI4KAPI4K2BPI4K2API4KBCCNB2
SCHEMBL6507469 0.66 CNR1 (0.53) CNR1

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-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

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 RAB9A 2806/4885GRM1 136/4885XDH 1535/4885

“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.