SCHEMBL102462

SCHEMBL102462

Fc1ccc(C#CCCc2nc3ccccc3o2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.46
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.40
GRM5 P41594 2/20 0.38
DRD3 P35462 4/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38
HDAC1 Q13547 2/20 0.37
PDE10A Q9Y233 1/20 0.36
DRD1 P21728 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL103136 0.82 NPC1 (0.55) RAB9ANPC1MAPTLOXL2TP53
Hydrochloric Acid SCHEMBL103138 0.81 NPC1 (0.54) RAB9ANPC1MAPTLOXL2TP53
SCHEMBL102707 0.79 NPC1 (0.51) RAB9ANPC1MAPTLOXL2TP53
SCHEMBL102474 0.79 GRM5 (0.49) RAB9ANPC1MAPTLOXL2SMN1; SMN2
SCHEMBL101293 0.79 GRM5 (0.49) RAB9ANPC1MAPTLOXL2TP53
SCHEMBL396981 0.77 RAB9A (0.51) RAB9ANPC1MAPTLOXL2TP53
SCHEMBL103987 0.76 NPC1 (0.50) RAB9ANPC1MAPTLOXL2TP53
SCHEMBL5258240 0.74 GRM5 (0.50) GRM5DRD3DRD2DRD4
SCHEMBL101855 0.73 SMN1; SMN2 (0.48) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL103977 0.73 MAPT (0.50) RAB9ANPC1MAPTLOXL2TP53

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 RAB9A 1458/4885NPC1 949/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 RAB9A 1309/4885NPC1 817/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 RAB9A 1458/4885NPC1 949/4885MAPT 1113/4885

“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.