SCHEMBL2488620

SCHEMBL2488620

Cc1cccc(-n2nnc(CCO)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
GRM5 P41594 2/20 0.42
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA2A P29274 1/20 0.40
RXRA P19793 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ESRRA P11474 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2889329 0.89 GRM5 (0.45) TLR8GRM5HPGDALDH1A1L3MBTL1
SCHEMBL2910592 0.82 HPGD (0.40) GRM5HPGDALDH1A1L3MBTL1
SCHEMBL2897304 0.82 NOTUM (0.50) TLR8GRM5HPGDALDH1A1L3MBTL1
SCHEMBL5739553 0.79 NOTUM (0.53) GRM5HPGDALDH1A1MAPT
SCHEMBL2488353 0.78 GRM5 (0.41) GRM5HPGDALDH1A1L3MBTL1ADORA2A
SCHEMBL5739060 0.78 MAPT (0.43) GRM5HPGDALDH1A1L3MBTL1ADORA2A
SCHEMBL2926405 0.76 HSD17B10 (0.51) HPGDALDH1A1RXRAGRIN1GRIN2B
SCHEMBL5740464 0.74 RXRA (0.38) RXRAGRIN1GRIN2BKMT2ALMNA
SCHEMBL2897428 0.74 MAPT (0.45) GRM5HPGDALDH1A1L3MBTL1RXRA
SCHEMBL2001185 0.72 GRM5 (0.46) GRM5ALDH1A1L3MBTL1ADORA2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2379531-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY]-4H- [1,2, 4]TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL]ETHANOL AstraZeneca AB (SE) 2011-10-26 EP disclosed
EP-2231647-A1 TETRAZOLE DERIVATES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) AstraZeneca AB (SE) 2010-09-29 EP disclosed
WO-2010071559-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY] -4H- [1,2, 4] TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL] ETHANOL ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 WO disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ADH1A, ADH5, ADH1C TLR8 3411/4885GRM5 1518/4885HPGD 2654/4885

“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.