SCHEMBL102048

SCHEMBL102048

C#CCCC(=O)N(C)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
POLQ O75417 1/20 0.43
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PYCR1 P32322 2/20 0.39
MAPT P10636 1/20 0.38
MLYCD O95822 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 1/20 0.38
APP P05067 1/20 0.37
KCNQ4 P56696 1/20 0.37

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
SCHEMBL13067945 0.84 PPIB (0.41) FOLH1POLQKDM4EGAAMLYCD
SCHEMBL101719 0.83 POLQ (0.48) POLQKDM4EGAAMLYCDLMNA
SCHEMBL5314605 0.80 KMT2A (0.38) PYCR1MAPTMAOAMAOBLMNA
SCHEMBL28746503 0.80 FOLH1 (0.49) FOLH1POLQKDM4EGAAHSD17B10
SCHEMBL102160 0.79 KCNQ4 (0.36) PYCR1KCNQ4
SCHEMBL8443795 0.75 POLQ (0.49) FOLH1POLQKDM4EGAAHSD17B10
SCHEMBL13041524 0.75 POLQ (0.49) FOLH1POLQKDM4EGAAHSD17B10
SCHEMBL102581 0.75 KCNQ4 (0.43) KCNQ4
SCHEMBL1114785 0.74 FOLH1 (0.61) FOLH1POLQKDM4EGAAHSD17B10
SCHEMBL1115028 0.74 FOLH1 (0.61) FOLH1POLQKDM4EGAAHSD17B10

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 FOLH1 1735/4885POLQ 4318/4885KDM4E 1750/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 FOLH1 1237/4885POLQ 4443/4885KDM4E 1986/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 FOLH1 1735/4885POLQ 4318/4885KDM4E 1750/4885

“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.