SCHEMBL102749

SCHEMBL102749

C#CCCc1nc(-c2ccc(Cl)cc2Cl)no1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
DPP4 P27487 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
HTT P42858 1/20 0.41
GRM5 P41594 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 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
SCHEMBL103954 0.89 ATM (0.44) CNR1CNR2MAPTLMNAALDH1A1
SCHEMBL102362 0.85 ATM (0.60) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL103393 0.84 TDP1 (0.41) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL102014 0.80 SIRT2 (0.62) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL28869653 0.80 LMNA (0.51) CNR1CNR2MAPTLMNAALDH1A1
SCHEMBL103077 0.80 ATM (0.48) MAPTLMNAALDH1A1L3MBTL1ATM
SCHEMBL103161 0.79 ATM (0.43) MAPTLMNAALDH1A1L3MBTL1ATM
SCHEMBL28957185 0.79 LMNA (0.50) CNR1CNR2MAPTLMNAALDH1A1
SCHEMBL91621 0.79 ALDH1A1 (0.52) CNR1CNR2MAPTLMNAALDH1A1
SCHEMBL104316 0.78 GRM5 (0.53) MAPTLMNAMAPK1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR1 39/4885CNR2 66/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 CNR1 41/4885CNR2 47/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CNR1 39/4885CNR2 66/4885MAPT 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.