SCHEMBL103455

SCHEMBL103455

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
HTT P42858 4/20 0.39
KMT2A Q03164 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 3/20 0.37
PAX8 Q06710 3/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 2/20 0.37
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
JAK2 O60674 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL105774 0.81 SMN1; SMN2 (0.34) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL891832 0.69 NPSR1 (0.55) ALDH1A1NPC1RAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL11688433 0.67 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL28587375 0.66 MTNR1A (0.43) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL8583028 0.66 NPSR1 (0.46) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL5706292 0.65 NPSR1 (0.56) ALDH1A1NPC1RAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL11791075 0.64 NPSR1 (0.44) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL103300 0.62 MAOA (0.36) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL8535697 0.62 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL134456 0.62 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AHTTKMT2A

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 ALDH1A1 2153/4885NPC1 949/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 2496/4885NPC1 817/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 2153/4885NPC1 949/4885RAB9A 1458/4885

“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.