SCHEMBL104367

SCHEMBL104367

O=C(CCC#Cc1ccccn1)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDR P35968 1/20 0.50
RAB9A P51151 5/20 0.49
MAPT P10636 5/20 0.49
NPC1 O15118 4/20 0.49
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4193713 0.96 GRM4 (0.50) GRM4HDAC6KDRRAB9AMAPT
SCHEMBL103037 0.87 TP53 (0.53) HDAC6KDRRAB9AMAPTNPC1
SCHEMBL5261892 0.86 HDAC4 (0.53) HDAC6RAB9AMAPTNPC1KMT2A
SCHEMBL103258 0.86 KMT2A (0.51) RAB9AMAPTNPC1KMT2AALDH1A1
SCHEMBL4191652 0.80 KMT2A (0.54) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL101180 0.80 GRM5 (0.53) HDAC6RAB9ANPC1KMT2AALDH1A1
SCHEMBL103833 0.77 PTGDR2 (0.45) GRM4HDAC6RAB9AMAPTNPC1
SCHEMBL103252 0.75 PTGDR2 (0.41) GRM4HDAC6RAB9AKMT2AALDH1A1
SCHEMBL102995 0.75 TSHR (0.52) RAB9AMAPTNPC1KMT2AALDH1A1
SCHEMBL103548 0.74 F2R (0.59) RAB9AMAPTNPC1KCNJ5KCNJ3

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 10 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-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 GRM4 9/4885HDAC6 1324/4885KDR 2262/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM4 10/4885HDAC6 1182/4885KDR 2418/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM4 9/4885HDAC6 1324/4885KDR 2262/4885

“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.