SCHEMBL4514724

SCHEMBL4514724

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C(F)c3ccc(F)c(F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.37
SRC P12931 1/20 0.35
MAT2A P31153 1/20 0.35
AOC3 Q16853 1/20 0.34
HIF1A Q16665 1/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CDK1 P06493 1/20 0.33
PRKCA P17252 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CXCR3 P49682 2/20 0.32
GABRA2 P47869 1/20 0.32
GSR P00390 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
BRD4 O60885 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
SCHEMBL4519920 0.89 MAT2A (0.38) CNR1MAT2AHIF1ANPC1PDE4A
SCHEMBL4517600 0.86 CNR1 (0.38) CNR1MAT2AHIF1ATSHRNPC1
SCHEMBL4530645 0.82 CNR1 (0.38) CNR1SRCMAT2AHIF1ATSHR
SCHEMBL4528475 0.82 MAT2A (0.38) CNR1SRCMAT2AAOC3HIF1A
SCHEMBL4516843 0.81 SRC (0.41) CNR1SRCAOC3HIF1ATSHR
SCHEMBL4525568 0.80 MAT2A (0.38) CNR1SRCMAT2AHIF1ANPC1
SCHEMBL4516830 0.79 PDE4A (0.42) CNR1SRCMAT2AHIF1ATSHR
SCHEMBL4511433 0.78 CNR1 (0.38) CNR1MAT2AAOC3HIF1ATSHR
SCHEMBL4509737 0.78 CNR1 (0.38) CNR1MAT2AAOC3HIF1ATSHR
SCHEMBL4522660 0.77 CDK1 (0.39) CNR1CDK1PRKCA

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 CNR1 18/4885SRC 3693/4885MAT2A 3846/4885

“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.