SCHEMBL504851

SCHEMBL504851

N#Cc1cccc(C(=O)NC2CNCC2O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
GSK3B P49841 2/20 0.47
CHRM3 P20309 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
NAMPT P43490 1/20 0.44
ROCK2 O75116 1/20 0.43
EPHX2 P34913 1/20 0.42
ABCC9 O60706 3/20 0.42
KAT6A Q92794 1/20 0.41
ADRA2A P08913 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19918763 0.80 CHEK1 (0.58) GRM5ROCK2DRD2DRD3NPC1
SCHEMBL505167 0.79 GRM5 (0.44) GRM5GSK3BGPR139IRAK4NAMPT
SCHEMBL11337008 0.78 HSD17B10 (0.44) NPC1RAB9A
SCHEMBL11337013 0.78 HSD17B10 (0.44) NPC1RAB9A
SCHEMBL11337006 0.78 HSD17B10 (0.44) NPC1RAB9A
SCHEMBL26407280 0.77 RAB9A (0.69) GRM5ADRA2AMCHR1NPC1RAB9A
SCHEMBL31171332 0.76 GRM5 (0.57) GRM5ADRA2AMCHR1NPC1RAB9A
SCHEMBL3610584 0.73 KAT6A (0.59) GRM5GSK3BGPR139IRAK4NAMPT
SCHEMBL8312018 0.73 GRM5 (0.59) GRM5ADRA2AMCHR1NPC1RAB9A
SCHEMBL9694471 0.73 RAB9A (0.62) GRM5NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885GSK3B 3185/4885CHRM3 333/4885

“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.