SCHEMBL505284

SCHEMBL505284

Clc1cccc(C2CCCc3oc(-c4ccncn4)nc3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.40
GSK3B P49841 2/20 0.36
GRM5 P41594 6/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
CAMKK2 Q96RR4 1/20 0.33
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
ATM Q13315 1/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MDM2 Q00987 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
SCHEMBL505696 0.94 ADRA1A (0.44) ADRA1AGSK3BGRM5TSHRKDM4E
SCHEMBL505571 0.88 GRM5 (0.37) GSK3BGRM5CAMKK2SCDSCD5
SCHEMBL10253861 0.88 GRM5 (0.35) GSK3BGRM5CAMKK2NPSR1SCD
SCHEMBL505768 0.88 GRM5 (0.43) ADRA1AGRM5TSHRKDM4EMAPK1
SCHEMBL506009 0.86 ADRA1A (0.40) ADRA1AGRM5TSHRKDM4EMAPK1
SCHEMBL505627 0.83 GRM5 (0.52) ADRA1AGRM5TSHRKDM4EMAPK1
SCHEMBL10250174 0.82 HTR2C (0.34) ADRA1AGRM5KDM4EHPGDNPSR1
SCHEMBL506001 0.82 GRM5 (0.38) GSK3BGRM5SCD5SCN9A
SCHEMBL505132 0.81 ADRA1A (0.46) ADRA1AGRM5TSHRKDM4EMAPK1
SCHEMBL505062 0.80 ADRA1A (0.44) ADRA1AGRM5TSHRKDM4EMAPK1

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
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 ADRA1A 1524/4885GSK3B 3185/4885GRM5 1/4885

“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.