SCHEMBL505677

SCHEMBL505677

N#Cc1ccnc(C2CCc3oc(-c4ccccn4)nc3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.54
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
USP30 Q70CQ3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL505517 0.92 GRM5 (0.54) GRM5METAP2METAP1
SCHEMBL505552 0.87 GRM5 (0.58) GRM5KDM4EALDH1A1
SCHEMBL505018 0.84 GRM5 (0.51) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL10250536 0.84 HSD17B10 (0.45) GRM5KDM4ENPC1ALDH1A1TP53
SCHEMBL505179 0.83 GRM5 (0.49) GRM5KDM4E
SCHEMBL505271 0.82 GRM5 (0.48) GRM5USP30
SCHEMBL504948 0.82 GRM5 (0.46) GRM5USP30KDM4ENPC1ALDH1A1
SCHEMBL505355 0.82 GRM5 (0.48) GRM5USP30KDM4ENPC1ALDH1A1
SCHEMBL505308 0.82 GRM5 (0.60) GRM5
SCHEMBL505234 0.81 GRM5 (0.59) GRM5

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 1/4885METAP2 1438/4885METAP1 1773/4885

“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.