SCHEMBL409828

SCHEMBL409828

O=C(NC1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.52
ATM Q13315 1/20 0.52
KDM5A P29375 1/20 0.52
KMT2A Q03164 3/20 0.51
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.49
EPHX2 P34913 2/20 0.49
GFER P55789 2/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL3872631 0.89 KDM5A (0.52) NPC1KDM5AKMT2AALDH1A1MEN1
SCHEMBL412447 0.87 NPC1 (0.62) NPC1RAB9AATMKDM5AKMT2A
SCHEMBL3887575 0.84 NPC1 (0.42) NPC1RAB9AATMKDM5AKMT2A
SCHEMBL3316785 0.79 MEN1 (0.57) KDM5AKMT2AALDH1A1MEN1EPHX2
SCHEMBL3316788 0.79 MEN1 (0.57) KDM5AKMT2AALDH1A1MEN1EPHX2
SCHEMBL2825568 0.78 NPC1 (0.61) NPC1RAB9AATMKMT2AEPHX2
SCHEMBL2825567 0.78 NPC1 (0.61) NPC1RAB9AATMKMT2AEPHX2
SCHEMBL10278648 0.76 GRM5 (0.64) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL28465600 0.76 NPC1 (0.66) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL3316809 0.75 DRD2 (0.56) KDM5AKMT2AHSD11B1MEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP claimed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP claimed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US claimed
CN-1898206-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-01-17 CN claimed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP claimed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO claimed
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US disclosed
CN-102336749-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-02-01 CN disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 US disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 US disclosed
CN-1898206-B Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2011-09-14 CN disclosed
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-05-12 US disclosed
US-7834035-B2 Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety ADDEX PHARMA SA (CH) 2010-11-16 US disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US disclosed
CN-1898206-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-01-17 CN disclosed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 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 (3 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 NPC1 2108/4885RAB9A 1437/4885ATM 4161/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 2108/4885RAB9A 1437/4885ATM 4161/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 2108/4885RAB9A 1437/4885ATM 4161/4885

“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.