SCHEMBL101855

SCHEMBL101855

Fc1ccc(C#CCCc2nc3ccccc3s2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
KMT2A Q03164 2/20 0.48
PDE10A Q9Y233 1/20 0.46
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
UBE2T Q9NPD8 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40

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
SCHEMBL102774 0.82 RAB9A (0.52) SMN1; SMN2RAB9ANPC1PDE10ATSHR
SCHEMBL103367 0.80 UBE2T (0.43) SMN1; SMN2RAB9ANPC1KMT2APDE10A
SCHEMBL103429 0.80 GRM5 (0.50) SMN1; SMN2RAB9ANPC1KMT2APDE10A
SCHEMBL101888 0.76 PDE10A (0.43) SMN1; SMN2RAB9ANPC1KMT2APDE10A
SCHEMBL103079 0.75 GRM5 (0.59) SMN1; SMN2RAB9ANPC1KMT2APDE10A
SCHEMBL103658 0.75 UBE2T (0.43) SMN1; SMN2RAB9ANPC1PDE10ATSHR
SCHEMBL5258240 0.74 GRM5 (0.50) DRD2DRD4DRD3GRM5
SCHEMBL103069 0.74 HPGD (0.46) SMN1; SMN2RAB9APDE10ATSHRHPGD
SCHEMBL102462 0.73 RAB9A (0.50) SMN1; SMN2RAB9ANPC1KMT2APDE10A
SCHEMBL103042 0.73 DRD2 (0.43) SMN1; SMN2RAB9APDE10ATSHRHPGD

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
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP claimed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US claimed
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 SMN1; SMN2 881/4885RAB9A 1458/4885NPC1 949/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 SMN1; SMN2 1094/4885RAB9A 1309/4885NPC1 817/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SMN1; SMN2 881/4885RAB9A 1458/4885NPC1 949/4885

“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.