SCHEMBL193294

SCHEMBL193294

CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
ABL1 P00519 1/20 0.63
RIN1 Q13671 1/20 0.63
PTPN2 P17706 1/20 0.62
PTPN1 P18031 1/20 0.62
PTPN6 P29350 1/20 0.62
NPC1 O15118 2/20 0.54
LMNA P02545 1/20 0.54
MAPK8 P45983 3/20 0.53
MAPK10 P53779 3/20 0.53
MAPK14 Q16539 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL193295 1.00 RAB9A (0.65) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL30736248 0.89 ABL1 (0.63) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL30736252 0.89 ABL1 (0.63) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL17729048 0.89 ALDH1A1 (0.63) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL889057 0.89 ABL1 (0.63) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL3715390 0.88 ABL1 (0.62) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL5870918 0.88 ABL1 (0.62) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL28778540 0.88 PTPN1 (0.63) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL31148080 0.88 ABL1 (0.62) RAB9AABL1RIN1PTPN2PTPN1
SCHEMBL31148089 0.88 ABL1 (0.62) RAB9AABL1RIN1PTPN2PTPN1

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 RAB9A 1437/4885ABL1 3065/4885RIN1 1128/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 RAB9A 1437/4885ABL1 3065/4885RIN1 1128/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 RAB9A 1437/4885ABL1 3065/4885RIN1 1128/4885

“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.