SCHEMBL103419

SCHEMBL103419

Cc1cc(F)ccc1NC(=O)CCC#Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
GRM5 P41594 3/20 0.41
RAB9A P51151 3/20 0.40
POLB P06746 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 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
SCHEMBL102005 0.89 POLB (0.53) ALDH1A1LMNAHDAC3HDAC1GRM5
SCHEMBL101497 0.82 TP53 (0.42) ALDH1A1LMNAMAPTRAB9APOLB
SCHEMBL102995 0.82 TSHR (0.52) ALDH1A1LMNAMAPTRAB9APOLB
SCHEMBL101180 0.82 GRM5 (0.53) ALDH1A1HDAC3HDAC1GRM5RAB9A
SCHEMBL103258 0.81 KMT2A (0.51) ALDH1A1LMNAMAPTGRM5RAB9A
SCHEMBL103738 0.80 GRM5 (0.43) HDAC3HDAC1GRM5RAB9APOLB
SCHEMBL4191652 0.77 KMT2A (0.54) ALDH1A1RAB9APOLBSMN1; SMN2NPC1
SCHEMBL5261892 0.76 HDAC4 (0.53) LMNAMAPTHDAC3HDAC1RAB9A
SCHEMBL101577 0.75 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHDAC3HDAC1
SCHEMBL103391 0.74 GRM5 (0.39) GRM5

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 13 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
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP claimed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO 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 ALDH1A1 2153/4885LMNA 4407/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 2496/4885LMNA 4715/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ALDH1A1 2153/4885LMNA 4407/4885MAPT 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.