Sugi Predict

Sugi Predict / Compounds / SCHEMBL990109

SCHEMBL990109

SCHEMBL990109

O=C(Cc1ccccc1OC(F)(F)F)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.42
▸ EPHX2 P34913 3/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ HSD17B13 Q7Z5P4 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ DDR1 Q08345 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
SCHEMBL3694789 1.00 GRM5 (0.42) GRM5EPHX2CHRM1CHRM3SCN9A
SCHEMBL990846 0.86 NPC1 (0.46) GRM5EPHX2CHRM1CHRM3SIGMAR1
SCHEMBL16390663 0.82 EPHX2 (0.53) GRM5EPHX2SIGMAR1
SCHEMBL990289 0.82 EPHX2 (0.53) GRM5EPHX2SIGMAR1
SCHEMBL991376 0.80 HPGD (0.55) GRM5GAACYP3A4CYP2C19L3MBTL1
SCHEMBL4656000 0.80 HPGD (0.55) GRM5GAACYP3A4CYP2C19L3MBTL1
SCHEMBL5124552 0.79 KMT2A (0.49) GRM5EPHX2CYP3A4SIGMAR1OPRD1
SCHEMBL990965 0.77 GRM5 (0.44) GRM5EPHX2L3MBTL1
SCHEMBL991456 0.76 SIGMAR1 (0.47) GRM5EPHX2CYP3A4CYP2C19SIGMAR1
SCHEMBL3276845 0.76 GRM5 (0.51) GRM5L3MBTL1

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 GRM5 1/4885EPHX2 1834/4885CHRM1 303/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885EPHX2 1962/4885CHRM1 305/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885EPHX2 1962/4885CHRM1 305/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 GRM5 1/4885EPHX2 857/4885CHRM1 327/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 GRM5 1/4885EPHX2 2283/4885CHRM1 630/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 GRM5 1/4885EPHX2 857/4885CHRM1 327/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 GRM5 3794/4885EPHX2 3477/4885CHRM1 144/4885

“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.