SCHEMBL505082

SCHEMBL505082

Clc1cccc(-c2nc3c(o2)CCC(c2ccccn2)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
TP53 P04637 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
GRM5 P41594 2/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
PIM1 P11309 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
DGAT2 Q96PD7 2/20 0.35
IKBKB O14920 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
PDE4D Q08499 1/20 0.35
MAOB P27338 1/20 0.34
GFER P55789 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL505759 0.87 GPR119 (0.43) NPC1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL505085 0.87 GRM5 (0.38) NPC1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL10285530 0.87 GRM5 (0.35) NPC1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL506276 0.87 GRM5 (0.45) NPC1RAB9ASMN1; SMN2TSHRGRM5
SCHEMBL505271 0.84 GRM5 (0.48) GRM5PDE4D
SCHEMBL10250551 0.84 GPR119 (0.33) NPC1RAB9ASMN1; SMN2GRM5MAPT
SCHEMBL10250549 0.84 TP53 (0.45) NPC1TP53RAB9ASMN1; SMN2TSHR
SCHEMBL505018 0.81 GRM5 (0.51) NPC1TP53RAB9ASMN1; SMN2GRM5
SCHEMBL505120 0.81 PRCP (0.38) GRM5GPR119ALDH1A1
SCHEMBL10250542 0.81 MEN1 (0.41) NPC1TP53RAB9ASMN1; SMN2TSHR

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

“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.