SCHEMBL991492

SCHEMBL991492

C/C=C1/CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 2/20 0.44
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADORA1 P30542 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL20464223 1.00 ESR2 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL991494 1.00 ESR2 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL16925456 0.94 HPGD (0.48) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL13291999 0.90 ESR2 (0.50) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL20007623 0.90 ESR2 (0.50) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL13901502 0.88 HPGD (0.47) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL29161083 0.86 ESR2 (0.44) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL424756 0.85 ESR2 (0.43) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL424706 0.85 ESR2 (0.43) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL424707 0.85 ESR2 (0.43) ESR2NR1H2HPGDUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
EP-1966144-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2007071358-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS NOVARTIS AG (CH) 2007-06-28 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 (4 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-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ESR2 670/4885NR1H2 300/4885HPGD 2602/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ESR2 598/4885NR1H2 274/4885HPGD 2729/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 ESR2 2360/4885NR1H2 726/4885HPGD 280/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ESR2 598/4885NR1H2 274/4885HPGD 2729/4885

“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.