SCHEMBL191841

SCHEMBL191841

C/N=C(\Cl)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
METTL3 Q86U44 1/20 0.36
ACHE P22303 1/20 0.36
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR7 P34969 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL191842 1.00 CES2 (0.42) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL12377007 0.80 CES2 (0.46) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL2284499 0.80 CES2 (0.46) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL2284506 0.80 CES2 (0.46) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL561916 0.78 CES2 (0.44) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL1880160 0.78 CES2 (0.44) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL561915 0.78 CES2 (0.44) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL24484065 0.76 CES2 (0.42) CES2CES1LMNACA1CA2
SCHEMBL7456390 0.75 ATM (0.39) CES2CES1LMNAESR1MAPT
SCHEMBL7487833 0.75 ATM (0.39) CES2CES1LMNAESR1MAPT

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 CES2 1919/4885CES1 2050/4885LMNA 4649/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CES2 1919/4885CES1 2050/4885LMNA 4649/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CES2 1919/4885CES1 2050/4885LMNA 4649/4885

“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.