SCHEMBL7879141

SCHEMBL7879141

Cc1cccc(C2CCCc3nc(-c4ccc(F)cn4)oc3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.42
KCNH2 Q12809 3/20 0.42
HCAR2 Q8TDS4 2/20 0.34
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
HTR2C P28335 2/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL10250213 0.92 GRM5 (0.44) GRM5KCNH2HCAR2SCDSCD5
SCHEMBL10250755 0.89 GRM5 (0.43) GRM5KCNH2HCAR2
SCHEMBL10253817 0.88 GRM5 (0.45) GRM5KCNH2HCAR2SCDSCD5
SCHEMBL505123 0.86 GRM5 (0.47) GRM5KCNH2DRD2DRD3
SCHEMBL10250207 0.85 NPC1 (0.43) GRM5HTR2CDRD2DRD1DRD4
SCHEMBL10250358 0.85 GRM5 (0.42) GRM5KCNH2HTR2CNPC1MAPT
SCHEMBL505339 0.83 GRM5 (0.50) GRM5KCNH2HCAR2SCDSCD5
SCHEMBL10250745 0.81 CASP3 (0.37) HCAR2HTR2CDRD2DRD1DRD4
SCHEMBL10250748 0.81 GRM5 (0.45) GRM5KCNH2HCAR2
SCHEMBL505627 0.80 GRM5 (0.52) GRM5KCNH2HCAR2SCDSCD5

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
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 1/4885KCNH2 3375/4885HCAR2 156/4885

“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.