SCHEMBL101484

SCHEMBL101484

Clc1ccc(-c2noc(CCC#Cc3ccccn3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.52
TSHR P16473 3/20 0.50
SIRT2 Q8IXJ6 3/20 0.50
MAPK1 P28482 1/20 0.50
NOTUM Q6P988 2/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL4534120 0.90 RAB9A (0.52) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL102368 0.88 NPC1 (0.51) ALDH1A1TDP1L3MBTL1MAPTSIRT2
SCHEMBL101866 0.88 TDP1 (0.53) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL103382 0.88 GRM5 (0.47) TDP1L3MBTL1MAPTTSHRMAPK1
SCHEMBL102805 0.85 L3MBTL1 (0.58) TDP1L3MBTL1MAPTTSHRSIRT2
SCHEMBL102404 0.85 SMN1; SMN2 (0.45) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL104238 0.85 NPC1 (0.43) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL104944 0.84 GRM5 (0.51) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL102187 0.84 GRM5 (0.43) ALDH1A1TDP1L3MBTL1MAPTTSHR
SCHEMBL101626 0.84 ATM (0.50) ALDH1A1MAPTTSHRNPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2153/4885TDP1 2938/4885L3MBTL1 3907/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 2496/4885TDP1 3469/4885L3MBTL1 4070/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 2153/4885TDP1 2938/4885L3MBTL1 3907/4885

“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.