SCHEMBL505233

SCHEMBL505233

Fc1ccc(C2CCCc3nc(-c4ccccn4)oc3C2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.41
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
PROKR1 Q8TCW9 1/20 0.34
NPY5R Q15761 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
SCHEMBL505371 0.94 GRM5 (0.42) GRM5KCNH2ALDH1A1NPC1TP53
SCHEMBL505365 0.92 GRM5 (0.44) GRM5KCNH2ALDH1A1NPC1TP53
SCHEMBL504968 0.89 GRM5 (0.40) GRM5KCNH2ALDH1A1NPC1TP53
SCHEMBL10250636 0.88 NPC1 (0.43) GRM5ALDH1A1NPC1TP53RAB9A
SCHEMBL504936 0.88 GRM5 (0.42) GRM5KCNH2ALDH1A1NPC1TP53
SCHEMBL504935 0.88 GRM5 (0.42) GRM5KCNH2ALDH1A1NPC1TP53
SCHEMBL505188 0.88 GRM5 (0.42) GRM5KCNH2ALDH1A1NPC1TP53
SCHEMBL505882 0.88 GRM5 (0.42) GRM5ALDH1A1NPC1TP53RAB9A
SCHEMBL506121 0.87 GRM5 (0.43) GRM5KCNH2ALDH1A1NPC1TP53
SCHEMBL7877436 0.83 GRM5 (0.43) GRM5KCNH2ALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP 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
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
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 3375/4885ALDH1A1 1708/4885

“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.