SCHEMBL4519841

SCHEMBL4519841

CC(CCc1nc2c(ncn2CC(F)(F)F)c(=O)n1-c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.43
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
HIF1A Q16665 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.32
DDR1 Q08345 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL4521631 0.92 TSHR (0.37) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4522018 0.90 CNR1 (0.46) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4512742 0.90 CNR1 (0.39) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4515713 0.87 DRD1 (0.39) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4977073 0.87 DRD1 (0.39) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4288347 0.87 DRD1 (0.39) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4519944 0.86 CNR1 (0.37) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4512837 0.84 CNR1 (0.46) CNR1TSHRALDH1A1DRD1DRD5
SCHEMBL4531198 0.83 CNR1 (0.43) CNR1TSHRALDH1A1KDM4EDRD1
SCHEMBL4524872 0.83 CNR1 (0.45) CNR1TSHRALDH1A1DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US claimed
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
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 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 (2 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-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives PIGS, GPR174, GPR17 CNR1 26/4885TSHR 119/4885ALDH1A1 461/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 CNR1 18/4885TSHR 915/4885ALDH1A1 897/4885

“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.