SCHEMBL504699

SCHEMBL504699

CC1CN(C(=O)O)Cc2oc(-c3ccccn3)nc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.43
MAPT P10636 2/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.37
TP53 P04637 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 3/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
KMT2A Q03164 1/20 0.35
NPY5R Q15761 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
SCHEMBL504528 0.85 GRIN2B (0.44) GRM5NPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL504533 0.71 NPC1 (0.42) GRM5KDM4EALDH1A1HPGDNPC1
SCHEMBL25374583 0.67 KDM4E (0.43) GRM5KDM4EALDH1A1HPGDNPC1
SCHEMBL505281 0.66 GRM5 (0.48) GRM5NPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL505002 0.65 GRM5 (0.58) GRM5KCNH2
SCHEMBL31595893 0.64 NPC1 (0.45) GRM5MAPTKDM4EALDH1A1HPGD
SCHEMBL26195227 0.63 NPC1 (0.48) GRM5MAPTKDM4EALDH1A1HPGD
SCHEMBL31228434 0.62 HSD11B1 (0.49) SCDSCD5
SCHEMBL1740411 0.62 HSD11B1 (0.49) SCDSCD5
SCHEMBL505441 0.61 GRM5 (0.45) GRM5KDM4EALDH1A1HPGDNPC1

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 3 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
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 1/4885MAPT 819/4885KDM4E 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.