SCHEMBL105236

SCHEMBL105236

O=c1c2ccccc2cnn1CCCCC#Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
GRM5 P41594 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HCRTR1 O43613 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
KCNH2 Q12809 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL101778 0.93 NPC1 (0.52) NPC1RAB9AMITFPKMKMT2A
SCHEMBL103402 0.84 CYP1A2 (0.50) NPC1RAB9AGRM5SMN1; SMN2HCRTR1
SCHEMBL9382131 0.78 NPC1 (0.63) NPC1RAB9AMITFPKMKMT2A
SCHEMBL5108559 0.77 NPC1 (0.65) NPC1RAB9AMITFPKMKMT2A
SCHEMBL103801 0.75 CYP1A2 (0.57) NPC1RAB9AGRM5POLBRXFP1
SCHEMBL102635 0.75 TNF (0.44) NPC1RAB9AGRM5KDM4EPOLB
SCHEMBL5314391 0.75 CYP1A2 (0.40) GRM5SMN1; SMN2KCNH2LMNAALDH1A1
SCHEMBL11759940 0.74 NPC1 (0.58) NPC1RAB9AMITFPKMKMT2A
SCHEMBL8598953 0.74 NPC1 (0.58) NPC1RAB9AMITFPKMKMT2A
SCHEMBL13861649 0.73 NPC1 (0.59) NPC1RAB9AMITFPKMKMT2A

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 11 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
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 NPC1 949/4885RAB9A 1458/4885MITF 2431/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 817/4885RAB9A 1309/4885MITF 1947/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NPC1 949/4885RAB9A 1458/4885MITF 2431/4885

“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.