SCHEMBL411678

SCHEMBL411678

O=C(c1ccc(F)cc1)N1CCCC(c2cc(-c3ccc(F)cc3)on2)C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.65
CLPP Q16740 1/20 0.65
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
HTT P42858 2/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.54
PKM P14618 1/20 0.54
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCD5 Q86SK9 1/20 0.48
HSD11B1 P28845 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
SCHEMBL3874102 1.00 GRM5 (0.65) GRM5CLPPRAB9ANPC1HTT
SCHEMBL409844 0.86 MEN1 (0.56) GRM5CLPPRAB9ANPC1HTT
SCHEMBL4676134 0.81 RAB9A (0.45) GRM5CLPPRAB9ANPC1HTT
SCHEMBL192099 0.79 GRM5 (1.00) GRM5CLPPRAB9AHTTTP53
SCHEMBL193680 0.79 GRM5 (1.00) GRM5CLPPRAB9AHTTTP53
SCHEMBL192098 0.79 GRM5 (1.00) GRM5CLPPRAB9AHTTTP53
SCHEMBL4233384 0.78 GRM5 (0.68) GRM5CLPPRAB9AMEN1KMT2A
SCHEMBL412929 0.78 GRM5 (0.68) GRM5CLPPRAB9AMEN1KMT2A
SCHEMBL4232189 0.78 GRM5 (0.68) GRM5CLPPRAB9AMEN1KMT2A
SCHEMBL3880121 0.77 MEN1 (0.48) GRM5HTTTP53MEN1KMT2A

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 13 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
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US 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
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
EP-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP disclosed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US 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 GRM5 1/4885CLPP 4698/4885RAB9A 1437/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885RAB9A 1437/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885RAB9A 1437/4885

“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.