SCHEMBL409844

SCHEMBL409844

O=C(c1ccccc1F)N1CCCC(c2cc(-c3ccc(F)cc3)on2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50
HSD11B1 P28845 1/20 0.50
GRM5 P41594 1/20 0.49
CLPP Q16740 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SCD5 Q86SK9 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 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
SCHEMBL3880121 0.91 MEN1 (0.48) MEN1KMT2APOLBHTTTP53
SCHEMBL3874102 0.86 GRM5 (0.65) MEN1KMT2APOLBHTTNPC1
SCHEMBL411678 0.86 GRM5 (0.65) MEN1KMT2APOLBHTTNPC1
SCHEMBL410594 0.80 HSD11B1 (0.66) MEN1KMT2APOLBHTTTP53
SCHEMBL412917 0.80 MEN1 (0.54) MEN1KMT2APOLBHTTTP53
SCHEMBL4676134 0.79 RAB9A (0.45) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL409440 0.77 MEN1 (0.50) MEN1KMT2APOLBHTTMAPT
SCHEMBL413312 0.77 MEN1 (0.48) MEN1KMT2APOLBHTTMAPT
SCHEMBL410363 0.76 MEN1 (0.47) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL27825742 0.76 MEN1 (0.49) MEN1KMT2APOLBHTTALDH1A1

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 15 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
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
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 MEN1 4043/4885KMT2A 1613/4885POLB 3517/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MEN1 4043/4885KMT2A 1613/4885POLB 3517/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MEN1 4043/4885KMT2A 1613/4885POLB 3517/4885

“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.