SCHEMBL990289

SCHEMBL990289

O=C(Cc1ccccc1)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
SIGMAR1 Q99720 7/20 0.47
GRM5 P41594 1/20 0.47
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGES O14684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL16390663 1.00 EPHX2 (0.53) EPHX2SIGMAR1GRM5POLBHPGD
SCHEMBL990846 0.87 NPC1 (0.46) EPHX2SIGMAR1GRM5KMT2ASMN1; SMN2
SCHEMBL990965 0.87 GRM5 (0.44) EPHX2GRM5HPGDTHRBKMT2A
SCHEMBL990909 0.86 GRM5 (0.45) EPHX2SIGMAR1GRM5HPGDTHRB
SCHEMBL4722043 0.86 PLAAT3 (0.44) EPHX2SIGMAR1GRM5HPGDTHRB
SCHEMBL991456 0.85 SIGMAR1 (0.47) EPHX2SIGMAR1GRM5POLBHPGD
SCHEMBL990340 0.82 L3MBTL1 (0.59) GRM5MEN1KMT2A
SCHEMBL991376 0.82 HPGD (0.55) GRM5HPGDMEN1ALDH1A1KMT2A
SCHEMBL4656000 0.82 HPGD (0.55) GRM5HPGDMEN1ALDH1A1KMT2A
SCHEMBL990808 0.82 ALDH1A1 (0.49) EPHX2GRM5HPGDMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272929-A1 ORGANIC COMPOUNDS UMBRICHT DANIEL (CH) 2015-10-01 US disclosed
EP-2826478-A1 COMBINATIONS COMPRISING MGLUR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2015-01-21 EP disclosed
US-20140194423-A1 COMBINATION PRODUCTS GOMEZ-MANCILLA BALTAZAR (CH) 2014-07-10 US disclosed
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-8703809-B2 Combination products NOVARTIS AG (CH) 2014-04-22 US disclosed
US-20130052644-A1 Predictive Markers Useful in the Treatment of Fragile X Syndrome (FXS) NOVARTIS AG (CH) 2013-02-28 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
US-20120122878-A1 COMBINATION PRODUCTS NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
WO-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
WO-2009047296-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-04-16 WO disclosed
WO-2009047303-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDER NOVARTIS AG (CH) 2009-04-16 WO disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 US disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
EP-1877365-A1 ACETYLENE DERIVATIVES Novartis AG (CH) 2008-01-16 EP disclosed
WO-2006114262-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 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 (7 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 EPHX2 1834/4885SIGMAR1 424/4885GRM5 1/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 EPHX2 1962/4885SIGMAR1 356/4885GRM5 1/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 EPHX2 1962/4885SIGMAR1 356/4885GRM5 1/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 EPHX2 857/4885SIGMAR1 454/4885GRM5 1/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 EPHX2 2283/4885SIGMAR1 202/4885GRM5 1/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 EPHX2 857/4885SIGMAR1 454/4885GRM5 1/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 EPHX2 3477/4885SIGMAR1 118/4885GRM5 3794/4885

“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.