SCHEMBL103548

SCHEMBL103548

C#CCCC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.59
KCNJ5 P48544 1/20 0.57
KCNJ3 P48549 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 1/20 0.51
AGPAT2 O15120 1/20 0.51

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
SCHEMBL101425 0.82 MEN1 (0.66) F2RALDH1A1MAPTKMT2AMEN1
SCHEMBL9373098 0.81 KMT2A (0.62) KCNJ5KCNJ3ALDH1A1MAPTKMT2A
SCHEMBL9373685 0.81 KMT2A (0.62) KCNJ5KCNJ3ALDH1A1MAPTKMT2A
SCHEMBL103105 0.81 ALDH1A1 (0.58) F2RALDH1A1MAPTKMT2AMEN1
SCHEMBL4813925 0.80 CYP3A4 (0.81) F2RALDH1A1MAPTKMT2AMEN1
SCHEMBL5141417 0.80 MEN1 (0.71) KCNJ5KCNJ3ALDH1A1MAPTKMT2A
SCHEMBL8278749 0.80 F2R (0.65) F2RALDH1A1MAPTKMT2AMEN1
SCHEMBL4874515 0.78 L3MBTL1 (0.65) KCNJ5KCNJ3ALDH1A1MAPTKMT2A
SCHEMBL18029812 0.77 CA1 (0.66) F2RALDH1A1MAPTKMT2AMEN1
SCHEMBL4004381 0.77 MEN1 (0.67) KCNJ5KCNJ3ALDH1A1MAPTKMT2A

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 9 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
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 F2R 3302/4885KCNJ5 138/4885KCNJ3 229/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 F2R 2696/4885KCNJ5 191/4885KCNJ3 354/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 F2R 3302/4885KCNJ5 138/4885KCNJ3 229/4885

“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.