SCHEMBL608300

SCHEMBL608300

COc1ccc(-n2c(C)nc(C#Cc3ccnc(Cl)c3)c2C)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.77
KCNH2 Q12809 2/20 0.77
ADRB3 P13945 1/20 0.77
TSPO P30536 1/20 0.77
TMEM97 Q5BJF2 1/20 0.77
SIGMAR1 Q99720 1/20 0.77
GPR35 Q9HC97 1/20 0.77
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
DPP4 P27487 1/20 0.35
MAPT P10636 2/20 0.35
CACNA2D1 P54289 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 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
SCHEMBL609325 0.89 GRM5 (0.66) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607411 0.88 GRM5 (0.82) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607722 0.88 GRM5 (0.82) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608557 0.87 GRM5 (0.73) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608379 0.87 GRM5 (1.00) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL29355575 0.87 GRM5 (1.00) GRM5KCNH2ADRB3TSPOTMEM97
Basimglurant SCHEMBL560590 0.86 GRM5 (1.00) GRM5KCNH2ADRB3TSPOTMEM97
Basimglurant SCHEMBL29377966 0.86 GRM5 (1.00) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607714 0.85 GRM5 (0.73) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608763 0.84 GRM5 (0.68) GRM5KCNH2ADRB3TSPOTMEM97

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241260-A9 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2022-08-04 US claimed
US-20210052567-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2021-02-25 US claimed
US-20190216789-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN LA ROCHE (CH) 2019-07-18 US claimed
US-20170202819-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG 2017-07-20 US claimed
US-20150140087-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists HOFFMANN-LA ROCHE INC. 2015-05-21 US claimed
EP-2808022-A1 Pharmaceutical compositions of metabotropic glutamate 5 receptor (MGLU5) antagonists F. Hoffmann-La Roche AG (CH) 2014-12-03 EP claimed
EP-2603203-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
EP-2603206-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
US-8293916-B2 Diazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US claimed
WO-2012019989-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO claimed
WO-2012019990-A2 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO claimed
US-20120039999-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS CHATTERJI ASHISH (US) 2012-02-16 US claimed
JP-4690395-B2 2011-06-01 JP claimed
US-20100048569-A1 DIAZOLE DERIVATIVES BUETTELMANN BERND 2010-02-25 US claimed
US-20090054490-A1 METHODS FOR THE TREATMENT OF GERD WITH MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 US claimed
WO-2009024491-A1 USE OF MGLUR5 ANTAGONISTS FOR THE TREATMENT OF GERD F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO claimed
EP-1756086-B1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-06-04 EP claimed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP claimed
US-20060030559-A1 Diazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US claimed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20100048569-A1 DIAZOLE DERIVATIVES GRM1, GRM2, GRIN2B GRM5 14/4885KCNH2 551/4885ADRB3 1151/4885
US-20060030559-A1 Diazole derivatives GRM1, GRM2, GRIN2B GRM5 14/4885KCNH2 551/4885ADRB3 1151/4885
US-20190216789-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1493/4885ADRB3 3062/4885
US-20170202819-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20090054490-A1 METHODS FOR THE TREATMENT OF GERD WITH MGLUR5 ANTAGONISTS GRM5, HRH2, GRPR GRM5 1/4885KCNH2 1043/4885ADRB3 533/4885
US-20120039999-A1 PHARMACEUTICAL COMPOSITIONS OF METABOTROPIC GLUTAMATE 5 RECEPTOR (MGLU5) ANTAGONISTS GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20220241260-A9 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20150140087-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885
US-20210052567-A1 Pharmaceutical Compositions Of Metabotropic Glutamate 5 Receptor (MGLU5) Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1623/4885ADRB3 2755/4885

“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.