SCHEMBL990846

SCHEMBL990846

O=C(Cc1ccccc1F)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
GRM5 P41594 3/20 0.44
SIGMAR1 Q99720 6/20 0.42
EPHX2 P34913 1/20 0.42
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL990289 0.87 EPHX2 (0.53) GRM5SIGMAR1EPHX2KMT2ASMN1; SMN2
SCHEMBL16390663 0.87 EPHX2 (0.53) GRM5SIGMAR1EPHX2KMT2ASMN1; SMN2
SCHEMBL990109 0.86 GRM5 (0.42) GRM5SIGMAR1EPHX2CHRM1CHRM3
SCHEMBL3694789 0.86 GRM5 (0.42) GRM5SIGMAR1EPHX2CHRM1CHRM3
SCHEMBL990999 0.85 GRM5 (0.56) NPC1GRM5SMN1; SMN2
SCHEMBL4761340 0.82 GRM5 (0.48) NPC1GRM5SMN1; SMN2
SCHEMBL990965 0.81 GRM5 (0.44) NPC1GRM5EPHX2KMT2A
SCHEMBL4655682 0.81 GRM5 (0.48) NPC1GRM5KMT2A
SCHEMBL992253 0.81 GRM5 (0.48) NPC1GRM5KMT2A
SCHEMBL990824 0.81 GRM5 (0.48) NPC1GRM5KMT2A

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 21 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
EP-2211859-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2010-08-04 EP disclosed
US-20100099682-A1 ACETYLENE DERIVATIVES NOVARTIS AG 2010-04-22 US 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

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

For each of this compound's patents that has machine-readable text (8 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-20100099682-A1 ACETYLENE DERIVATIVES NAT1, NAT10, F12 NPC1 677/4885GRM5 3794/4885SIGMAR1 118/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 1564/4885GRM5 1/4885SIGMAR1 424/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NPC1 1500/4885GRM5 1/4885SIGMAR1 356/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NPC1 1500/4885GRM5 1/4885SIGMAR1 356/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 NPC1 3333/4885GRM5 1/4885SIGMAR1 454/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 NPC1 1076/4885GRM5 1/4885SIGMAR1 202/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 NPC1 3333/4885GRM5 1/4885SIGMAR1 454/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 NPC1 677/4885GRM5 3794/4885SIGMAR1 118/4885

“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.