SCHEMBL4529686

SCHEMBL4529686

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3cccc(Cl)c3F)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
PCSK9 Q8NBP7 1/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 5/20 0.35
MAPK14 Q16539 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH1A3 P47895 1/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CNR2 P34972 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33

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
SCHEMBL4525993 0.92 DRD1 (0.37) DRD1DRD5POLBCNR1MAPK14
SCHEMBL4520627 0.89 DRD1 (0.41) DRD1DRD5CNR1PIK3CDPIK3CA
SCHEMBL4529233 0.88 DRD1 (0.40) DRD1DRD5POLBCNR1MAPK14
SCHEMBL4525529 0.88 DRD1 (0.36) DRD1DRD5POLBMAPK14TSHR
SCHEMBL4525768 0.87 DRD1 (0.39) DRD1DRD5POLBCNR1PIK3CD
SCHEMBL4505875 0.87 TSHR (0.40) DRD1DRD5MAPK14TSHRLMNA
SCHEMBL4524591 0.86 POLB (0.36) DRD1DRD5POLBTSHRLMNA
SCHEMBL4515658 0.85 MAPT (0.39) DRD1DRD5MAPK14ALDH1A2ALDH1A3
SCHEMBL4521884 0.84 MAPK1 (0.45) DRD1DRD5POLBMAPK14ALDH1A2
SCHEMBL4513062 0.83 DRD1 (0.36) DRD1DRD5POLBMAPK14TSHR

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 3 patents. 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
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO 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 695/4885PCSK9 3760/4885

“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.