SCHEMBL193105

SCHEMBL193105

NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
HSD17B10 Q99714 1/20 0.55
EPHX2 P34913 1/20 0.55
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 2/20 0.51
HSD11B1 P28845 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM5 P41594 1/20 0.49
CLPP Q16740 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL193737 1.00 GLA (0.55) GLAHSD17B10EPHX2RAB9ANPC1
Hydrochloric Acid SCHEMBL192966 0.99 GLA (0.54) GLAHSD17B10EPHX2RAB9ANPC1
Hydrochloric Acid SCHEMBL192965 0.99 GLA (0.54) GLAHSD17B10EPHX2RAB9ANPC1
SCHEMBL192930 0.86 ALDH1A1 (0.69) RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL5745805 0.85 ABL1 (0.46) GLAHSD17B10EPHX2RAB9AALDH1A1
SCHEMBL3589879 0.85 GLA (0.75) GLAHSD17B10EPHX2RAB9ANPC1
SCHEMBL3589877 0.85 GLA (0.75) GLAHSD17B10EPHX2RAB9ANPC1
SCHEMBL192954 0.85 KMT2A (0.64) GLAHSD17B10EPHX2RAB9ANPC1
SCHEMBL192998 0.83 NPC1 (0.60) GLAHSD17B10EPHX2RAB9ANPC1
SCHEMBL191835 0.83 NPC1 (0.60) GLAHSD17B10EPHX2RAB9ANPC1

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 GLA 4560/4885HSD17B10 2888/4885EPHX2 3284/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GLA 4560/4885HSD17B10 2888/4885EPHX2 3284/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GLA 4560/4885HSD17B10 2888/4885EPHX2 3284/4885

“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.