SCHEMBL193254

SCHEMBL193254

Cn1c(-c2ccc(F)cc2)nnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.56
CLPP Q16740 1/20 0.56
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ATM Q13315 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PROKR1 Q8TCW9 1/20 0.47
RECQL P46063 1/20 0.45
HSD11B1 P28845 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL192883 1.00 GRM5 (0.56) GRM5CLPPKMT2AMEN1ATM
SCHEMBL8288429 0.75 ATM (0.74) GRM5CLPPKMT2AMEN1ATM
SCHEMBL193583 0.74 GRM5 (0.57) GRM5CLPPKMT2AMEN1ATM
SCHEMBL193264 0.74 GRM5 (0.66) GRM5CLPPKMT2AMEN1ATM
SCHEMBL194028 0.74 GRM5 (0.66) GRM5CLPPKMT2AMEN1ATM
SCHEMBL192848 0.72 GRM5 (0.90) GRM5CLPPKMT2AMEN1ATM
SCHEMBL192847 0.72 GRM5 (0.90) GRM5CLPPKMT2AMEN1ATM
SCHEMBL3455533 0.72 RAB9A (0.87) GRM5CLPPKMT2AMEN1ATM
SCHEMBL192098 0.72 GRM5 (1.00) GRM5CLPPKMT2AMEN1ATM
SCHEMBL193680 0.72 GRM5 (1.00) GRM5CLPPKMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2030970-B1 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2012-01-04 EP 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 4698/4885KMT2A 1613/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885KMT2A 1613/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885KMT2A 1613/4885

“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.