Sugi Predict

Sugi Predict / Compounds / SCHEMBL505502

SCHEMBL505502

SCHEMBL505502

N#Cc1nccnc1C1CCc2oc(-c3ccccc3)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.45
▸ HPGD P15428 8/20 0.40
▸ KDM4E B2RXH2 8/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ GPR119 Q8TDV5 6/20 0.40
▸ HSD17B10 Q99714 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL505548 0.87 ALOX15 (0.45) GRM5HPGDKDM4EALDH1A1HSD17B10
SCHEMBL505666 0.87 GRM5 (0.56) GRM5HPGDKDM4EALDH1A1GPR119
SCHEMBL7877057 0.83 GPR119 (0.43) GRM5HPGDGPR119CYP1A2CYP2C19
SCHEMBL7883808 0.79 GPR119 (0.44) GRM5HPGDGPR119CYP1A2CYP2C19
SCHEMBL7885466 0.78 GRM5 (0.39) GRM5HPGDGPR119CYP1A2CYP2C19
SCHEMBL505498 0.78 GRM5 (0.53) GRM5HPGDKDM4EALDH1A1GPR119
SCHEMBL505982 0.78 GRM5 (0.46) GRM5HPGDKDM4EALDH1A1GPR119
SCHEMBL10250324 0.78 GRM5 (0.46) GRM5HPGDKDM4EALDH1A1GPR119
SCHEMBL505759 0.77 GPR119 (0.43) GRM5HPGDKDM4EALDH1A1GPR119
SCHEMBL505795 0.77 GPR119 (0.41) GRM5HPGDKDM4EALDH1A1GPR119

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 5 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

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 1/4885HPGD 1191/4885KDM4E 2855/4885

“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.