SCHEMBL104944

SCHEMBL104944

Clc1ccc(-c2noc(CCC#Cc3ccccn3)n2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
CNR1 P21554 7/20 0.43
CNR2 P34972 7/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL102187 0.92 GRM5 (0.43) GRM5MAPTLMNAALDH1A1MAPK1
SCHEMBL101626 0.89 ATM (0.50) GRM5MAPTLMNAALDH1A1NPC1
SCHEMBL103559 0.88 NPC1 (0.40) GRM5MAPTLMNAALDH1A1NPC1
SCHEMBL101484 0.84 ALDH1A1 (0.53) MAPTLMNAALDH1A1MAPK1NPC1
SCHEMBL101574 0.84 GRM5 (0.50) GRM5MAPTALDH1A1CNR1CNR2
SCHEMBL103382 0.84 GRM5 (0.47) GRM5MAPTLMNAMAPK1NPC1
SCHEMBL104238 0.83 NPC1 (0.43) GRM5MAPTALDH1A1NPC1RAB9A
SCHEMBL102112 0.82 ATM (0.41) GRM5MAPTLMNAALDH1A1MAPK1
SCHEMBL4198996 0.80 SMN1; SMN2 (0.47) GRM5MAPTALDH1A1MAPK1NPC1
SCHEMBL101965 0.80 GRM5 (0.44) GRM5MAPTLMNAALDH1A1MAPK1

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 GRM5 1/4885MAPT 1113/4885LMNA 4407/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885MAPT 630/4885LMNA 4715/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885MAPT 1113/4885LMNA 4407/4885

“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.