SCHEMBL504581

SCHEMBL504581

N#Cc1cccc(N2CCc3nc(-c4ccccc4)oc3C2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.74
GPR119 Q8TDV5 6/20 0.48
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
DHFR P00374 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL504865 0.95 GRM5 (0.74) GRM5GPR119DRD2DRD3DHFR
SCHEMBL505154 0.91 GRM5 (0.71) GRM5GPR119DRD2DRD3DHFR
SCHEMBL504992 0.89 GRM5 (0.68) GRM5GPR119DRD2DRD3DHFR
SCHEMBL503965 0.88 GRM5 (0.72) GRM5DRD2DRD3DHFR
SCHEMBL10250914 0.87 GRM5 (0.63) GRM5GPR119DRD2DRD3DHFR
SCHEMBL504999 0.86 GRM5 (0.75) GRM5GPR119KDM4EALDH1A1POLB
SCHEMBL503647 0.85 GRM5 (1.00) GRM5KDM4EALDH1A1TSHR
SCHEMBL10250136 0.83 GRM5 (0.52) GRM5GPR119KDM4EPOLBHPGD
SCHEMBL505553 0.83 GRM5 (0.66) GRM5GPR119DRD2DRD3DHFR
SCHEMBL505121 0.83 GRM5 (0.71) GRM5DRD2DRD3

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 4 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
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 1/4885GPR119 94/4885DRD2 979/4885

“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.