SCHEMBL4512988

SCHEMBL4512988

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(CCCOc3ccccc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
RXFP1 Q9HBX9 1/20 0.41
PDE10A Q9Y233 4/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL4506412 0.88 ADORA1 (0.42) PDE10ASIGMAR1MAOAMAOBDRD1
SCHEMBL4505981 0.82 DRD1 (0.42) PDE10AMAOAMAOBKDM4ETSHR
SCHEMBL4982038 0.81 DRD1 (0.38) PDE10AMAOAMAOBKDM4ETSHR
SCHEMBL4517383 0.81 CNR1 (0.37) PDE10AMAOAMAOBTSHRDRD1
SCHEMBL4518633 0.80 CNR1 (0.36) PDE10AMAOAMAOBTSHRDRD1
SCHEMBL4530214 0.80 DRD1 (0.44) PDE10AMAOAMAOBKDM4ETSHR
SCHEMBL4506682 0.80 DRD1 (0.37) PDE10AMAOAMAOBKDM4ETSHR
SCHEMBL4520627 0.79 DRD1 (0.41) PDE10AALOX15TSHRDRD1DRD5
SCHEMBL4525318 0.79 CNR1 (0.38) PDE10AMAOAMAOBTSHRDRD1
SCHEMBL4520603 0.78 DRD1 (0.38) PDE10AMAOAMAOBKDM4ETSHR

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 KCNH2 515/4885HRH3 360/4885RXFP1 215/4885

“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.