SCHEMBL4520925

SCHEMBL4520925

CC(Cc1nc2scnc2c(=O)n1-c1ccc(Cl)cc1)CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
POLB P06746 1/20 0.33
PIK3R2 O00459 1/20 0.32
CNR1 P21554 1/20 0.31
GRM1 Q13255 1/20 0.31
HTR6 P50406 1/20 0.31
PDE10A Q9Y233 1/20 0.31
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30
KAT2A Q92830 1/20 0.30
KAT2B Q92831 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4434730 0.82 PDE10A (0.34) DRD1DRD5POLBPIK3R2GRM1
SCHEMBL4510077 0.80 PDE10A (0.34) POLBCNR1GRM1PDE10AEP300
SCHEMBL4981265 0.80 DRD1 (0.43) DRD1DRD5POLBCNR1GRM1
SCHEMBL4429967 0.80 DRD1 (0.43) DRD1DRD5POLBCNR1GRM1
SCHEMBL4553138 0.80 DRD1 (0.39) DRD1DRD5CNR1HTR6PDE10A
SCHEMBL4429964 0.80 DRD1 (0.43) DRD1DRD5POLBCNR1GRM1
SCHEMBL4520411 0.79 GRM1 (0.35) POLBCNR1GRM1PDE10AEP300
SCHEMBL4981916 0.79 DRD1 (0.40) DRD1DRD5POLBCNR1LMNA
SCHEMBL4531198 0.78 CNR1 (0.43) DRD1DRD5POLBCNR1LMNA
SCHEMBL4514455 0.77 CNR1 (0.39) DRD1DRD5CNR1LMNATSHR

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 DRD1 1261/4885DRD5 1056/4885POLB 2214/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 DRD1 333/4885DRD5 695/4885POLB 4867/4885

“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.