SCHEMBL104088

SCHEMBL104088

C#CCCC(=O)N(C(=O)O)c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
NR3C2 P08235 1/20 0.31
HTT P42858 1/20 0.31
TLR4 O00206 1/20 0.31
KCNQ2 O43526 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL104488 0.81 KCNQ4 (0.36) NR3C2TLR4
SCHEMBL102160 0.80 KCNQ4 (0.36) RAB9AKCNQ2CYP1A2CYP3A4CYP2D6
SCHEMBL105893 0.75 GRM5 (0.39) POLBALDH1A1
SCHEMBL104341 0.70 KCNQ4 (0.36) NR3C2TLR4CYP1A2
SCHEMBL103300 0.68 MAOA (0.36) RAB9AMAOAMAOBHTTALDH1A1
SCHEMBL101740 0.67 RAB9A (0.59) POLBRAB9AHTTALDH1A1CYP3A4
SCHEMBL103454 0.67 ALDH1A1 (0.44) RAB9AMAOAMAOBHTTALDH1A1
SCHEMBL102048 0.66 FOLH1 (0.45) MAOAMAOB
SCHEMBL2096358 0.65 HTT (0.46) CES2CES1RAB9AHTTALDH1A1
SCHEMBL103957 0.65 LMNA (0.35) POLBHTTALDH1A1

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 7 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

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 CES2 1233/4885CES1 1981/4885POLB 4331/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CES2 1045/4885CES1 2328/4885POLB 4543/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CES2 1233/4885CES1 1981/4885POLB 4331/4885

“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.