SCHEMBL4514625

SCHEMBL4514625

O=c1c2ncsc2nc(C2CCc3ccccc3C2)n1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
CNR1 P21554 2/20 0.32
AOC2 O75106 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 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
SCHEMBL4531450 0.79 DRD1 (0.45) DRD1DRD5CNR1ALDH1A1CYP1A2
SCHEMBL4515172 0.78 CNR1 (0.42) DRD1DRD5CNR1
SCHEMBL3169614 0.78 DRD1 (0.37) DRD1DRD5AOC2KDM4EPOLB
SCHEMBL3169620 0.78 DRD1 (0.37) DRD1DRD5AOC2KDM4EPOLB
SCHEMBL4530720 0.77 DRD1 (0.41) DRD1DRD5CNR1MEN1CYP1A2
SCHEMBL13660462 0.76 POLB (0.34) DRD1DRD5POLBGRM1GRM5
SCHEMBL13660458 0.76 DRD1 (0.35) DRD1DRD5POLBGRM1GRM5
SCHEMBL4514027 0.71 DRD1 (0.46) DRD1DRD5CNR1ALDH1A1CYP1A2
SCHEMBL4527097 0.69 PIK3CD (0.37) DRD1DRD5GAAPOLBPDE4B
SCHEMBL4509906 0.69 DRD1 (0.50) DRD1DRD5CNR1KMT2APOLB

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 DRD1 333/4885DRD5 695/4885CNR1 18/4885

“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.