SCHEMBL105774

SCHEMBL105774

C#CC(Cl)CC(=O)N(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
CTSS P25774 4/20 0.34
CTSK P43235 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AKT1 P31749 2/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
POLQ O75417 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL103455 0.81 ALDH1A1 (0.39) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL102350 0.79 GRM5 (0.38) SMN1; SMN2ALDH1A1L3MBTL1POLQHTT
SCHEMBL1624564 0.77 KMT2A (0.40) SMN1; SMN2TP53ALDH1A1AKT1L3MBTL1
SCHEMBL8736767 0.76 MEN1 (0.43) SMN1; SMN2ALDH1A1AKT1L3MBTL1KMT2A
SCHEMBL3780747 0.72 MEN1 (0.40) SMN1; SMN2ALDH1A1AKT1L3MBTL1KMT2A
SCHEMBL6182625 0.72 CRHBP (0.41) SMN1; SMN2ALDH1A1AKT1L3MBTL1KMT2A
SCHEMBL2762578 0.70 SMN1; SMN2 (0.39) SMN1; SMN2TP53ALDH1A1LMNAL3MBTL1
SCHEMBL30912971 0.70 MEN1 (0.36) SMN1; SMN2ALDH1A1AKT1L3MBTL1KMT2A
SCHEMBL17059106 0.70 CYP2C19 (0.39) SMN1; SMN2TP53ALDH1A1AKT1L3MBTL1
SCHEMBL25984799 0.69 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SMN1; SMN2 881/4885CTSS 4697/4885CTSK 4647/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 SMN1; SMN2 1094/4885CTSS 4405/4885CTSK 4494/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SMN1; SMN2 881/4885CTSS 4697/4885CTSK 4647/4885

“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.