SCHEMBL505267

SCHEMBL505267

COc1ccc(-c2nc3c(o2)CCC(c2ncccc2C#N)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
KDM4E B2RXH2 11/20 0.41
ALDH1A1 P00352 10/20 0.41
HPGD P15428 8/20 0.41
RAB9A P51151 8/20 0.41
MAPT P10636 7/20 0.41
GAA P10253 7/20 0.41
HSD17B10 Q99714 6/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL505519 0.90 RAB9A (0.45) GRM5KDM4EALDH1A1HPGDRAB9A
SCHEMBL10250324 0.89 GRM5 (0.46) GRM5KDM4EALDH1A1HPGDRAB9A
SCHEMBL505666 0.88 GRM5 (0.56) GRM5KDM4EALDH1A1HPGDRAB9A
SCHEMBL505982 0.87 GRM5 (0.46) GRM5KDM4EALDH1A1HPGDACHE
SCHEMBL505373 0.85 GRM5 (0.44) GRM5KDM4EALDH1A1HSD17B10NPC1
SCHEMBL7879696 0.83 NPC1 (0.35) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL505117 0.83 GRM5 (0.46) GRM5KDM4EALDH1A1HPGDRAB9A
SCHEMBL7881575 0.83 MAPT (0.36) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL505735 0.82 RAB9A (0.45) GRM5KDM4EALDH1A1HPGDRAB9A
SCHEMBL505041 0.82 GRM5 (0.45) GRM5ALDH1A1HPGDRAB9ANPC1

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 1/4885KDM4E 2855/4885ALDH1A1 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.