SCHEMBL4524872

SCHEMBL4524872

O=c1c2ncn(CC(F)(F)F)c2nc(CCCCC(F)(F)F)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.45
HIF1A Q16665 1/20 0.37
TSHR P16473 2/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
CYP17A1 P05093 1/20 0.32
LMNA P02545 2/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 2/20 0.31
MAPK1 P28482 1/20 0.31
TRPA1 O75762 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
P2RX7 Q99572 1/20 0.31
XDH P47989 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 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
SCHEMBL4512837 0.97 CNR1 (0.46) CNR1HIF1ATSHRPDE10AALDH1A1
SCHEMBL4506382 0.92 CNR1 (0.39) CNR1HIF1ATSHRPDE10ANPC1
SCHEMBL4520551 0.89 CNR1 (0.39) CNR1HIF1ATSHRPDE10AALDH1A1
SCHEMBL4520786 0.89 CNR1 (0.39) CNR1HIF1ATSHRPDE10ANPC1
SCHEMBL4518633 0.87 CNR1 (0.36) CNR1HIF1ATSHRPDE10ANPC1
SCHEMBL4524975 0.86 HIF1A (0.42) CNR1HIF1ATSHRALDH1A1NPC1
SCHEMBL4523527 0.86 CNR1 (0.40) CNR1HIF1ATSHRPDE10AALDH1A1
SCHEMBL4517383 0.83 CNR1 (0.37) CNR1TSHRPDE10ANPC1LMNA
SCHEMBL4519841 0.83 CNR1 (0.43) CNR1HIF1ATSHRPDE10AALDH1A1
SCHEMBL4520425 0.83 CNR1 (0.38) CNR1HIF1ACNR2DRD1DRD5

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 18/4885HIF1A 775/4885TSHR 915/4885

“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.