SCHEMBL4520737

SCHEMBL4520737

O=c1c2ncn(C3CC3)c2nc(Cc2c(F)cc(F)cc2F)n1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CHKA P35790 2/20 0.37
CTSL P07711 1/20 0.36
KCNH2 Q12809 2/20 0.35
FLT3 P36888 2/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDGFRA P16234 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
GABRA2 P47869 3/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL4505934 0.90 CNR1 (0.38) CNR1CHKACTSLKCNH2FLT3
SCHEMBL4530016 0.89 CNR1 (0.39) CNR1CHKACTSLKCNH2FLT3
SCHEMBL4520372 0.84 GSR (0.37) NPC1ALDH1A1DRD1DRD5
SCHEMBL4517228 0.83 CSNK1E (0.41) CNR1CTSLKCNH2FLT3CYP2C9
SCHEMBL4530785 0.82 MAT2A (0.38) CNR1CTSLNPC1
SCHEMBL4520124 0.78 DRD1 (0.53) CNR1CTSLFLT3PDGFRACCNE1
SCHEMBL4515827 0.78 CNR1 (0.39) CNR1CHKACTSLKCNH2FLT3
SCHEMBL4520425 0.77 CNR1 (0.38) CNR1CHKACTSLKCNH2FLT3
SCHEMBL4521285 0.77 SMN1; SMN2 (0.39) NPC1ALDH1A1RAB9A
SCHEMBL4521436 0.76 FLT3 (0.39) CNR1CHKACTSLKCNH2FLT3

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-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

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 18/4885CHKA 3956/4885CTSL 4456/4885

“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.