SCHEMBL505319

SCHEMBL505319

COc1cccc(-c2nc3c(o2)CN(c2ccccn2)CC3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GRM5 P41594 4/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
HTR1A P08908 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL504195 0.86 ACHE (0.57) ALDH1A1SMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL504886 0.85 GPR119 (0.53) GRM5ACHEBACE1BCHEGPR119
SCHEMBL504871 0.82 GRM5 (0.67) GRM5ACHEBACE1GPR119
SCHEMBL10250911 0.82 GRM5 (0.46) KDM4EMAPTGRM5ACHEBACE1
SCHEMBL504960 0.81 GRM5 (0.65) ALDH1A1SMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL10250005 0.80 GRM5 (0.52) ALDH1A1SMN1; SMN2LMNARAB9AKDM4E
SCHEMBL505152 0.78 ACHE (0.55) LMNAGRM5ACHEBACE1BCHE
SCHEMBL505316 0.78 ACHE (0.57) ALDH1A1SMN1; SMN2MAPK1RAB9AKDM4E
SCHEMBL504579 0.78 GRM5 (0.65) ALDH1A1SMN1; SMN2RAB9AKDM4EGRM5
SCHEMBL10285696 0.76 GRM5 (0.47) ALDH1A1SMN1; SMN2RAB9AKDM4EGRM5

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 ALDH1A1 1708/4885SMN1; SMN2 184/4885LMNA 4054/4885

“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.