SCHEMBL504850

SCHEMBL504850

CC1CCNCc2nc(-c3ccccn3)oc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.40
TP53 P04637 9/20 0.40
NPC1 O15118 9/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM5 P41594 3/20 0.39
PKM P14618 7/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL504290 0.75 GRM5 (0.54) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL504841 0.73 GRM5 (0.52) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL505287 0.73 GRM5 (0.51) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL504242 0.72 GRM5 (0.54) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL504645 0.70 GRM5 (0.49) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL505181 0.69 KDM4E (0.42) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL504533 0.69 NPC1 (0.42) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL505441 0.69 GRM5 (0.45) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL7881848 0.68 GRM5 (0.59) RAB9ATP53NPC1SMN1; SMN2ALDH1A1
SCHEMBL13633785 0.64 NPC1 (0.56) RAB9ATP53NPC1SMN1; SMN2ALDH1A1

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 RAB9A 1722/4885TP53 4586/4885NPC1 1427/4885

“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.