SCHEMBL505553

SCHEMBL505553

N#Cc1cccc(N2CCc3nc(-c4cccc[n+]4[O-])oc3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.66
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.38
C1S P09871 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
DHFR P00374 1/20 0.33
KCNH2 Q12809 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
SCHEMBL10249981 0.85 GRM5 (0.46) GRM5GPR119KCNH2
SCHEMBL504581 0.83 GRM5 (0.74) GRM5DRD2DRD3GPR119DHFR
SCHEMBL504865 0.82 GRM5 (0.74) GRM5DRD2DRD3GPR119DHFR
SCHEMBL503647 0.79 GRM5 (1.00) GRM5
SCHEMBL505154 0.79 GRM5 (0.71) GRM5DRD2DRD3GPR119DHFR
SCHEMBL504992 0.77 GRM5 (0.68) GRM5DRD2DRD3GPR119DHFR
SCHEMBL504669 0.76 GRM5 (0.79) GRM5DRD2DRD3
SCHEMBL503965 0.75 GRM5 (0.72) GRM5DRD2DRD3C1SDHFR
SCHEMBL505398 0.75 GRM5 (0.36) GRM5DRD2DRD3GPR119
SCHEMBL504888 0.75 GRM5 (0.74) GRM5DRD2DRD3DHFR

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-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
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885DRD2 979/4885DRD3 1534/4885

“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.