SCHEMBL103672

SCHEMBL103672

C#CCCC(=O)Nc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.62
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.55
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
CYP2D6 P10635 3/20 0.50
CYP3A4 P08684 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL29240162 0.84 HDAC1 (0.66) CYP2D6CYP3A4CYP1A2
SCHEMBL101740 0.81 RAB9A (0.59) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL2832021 0.80 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL31580531 0.79 NPC1 (0.62) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL2010247 0.79 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL469448 0.78 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL2675404 0.78 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL1066371 0.78 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL5261314 0.78 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL4813925 0.76 CYP3A4 (0.81) SMN1; SMN2ALDH1A1MAPTHTTL3MBTL1

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 SMN1; SMN2 881/4885ALDH1A1 2153/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 SMN1; SMN2 1094/4885ALDH1A1 2496/4885MAPT 630/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SMN1; SMN2 881/4885ALDH1A1 2153/4885MAPT 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.