SCHEMBL101347

SCHEMBL101347

CN(CCC#Cc1ccccn1)C(=O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
TNFSF11 O14788 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KAT6A Q92794 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FFAR1 O14842 1/20 0.38
POLQ O75417 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
SCHEMBL102756 0.92 POLB (0.38) GRM5POLBLMNACTNNB1WNT3A
SCHEMBL104372 0.88 RAB9A (0.41) GRM5POLBFFAR1POLQ
SCHEMBL103790 0.87 KMT2A (0.46) GRM5CTNNB1WNT3AKDM4EKMT2A
SCHEMBL394225 0.86 GRM5 (0.40) GRM5POLBLMNACTNNB1WNT3A
SCHEMBL103332 0.86 CDK4 (0.43) GRM5POLBKDM4EALDH1A1MEN1
SCHEMBL103200 0.85 POLQ (0.46) CTNNB1WNT3AMEN1KMT2AFFAR1
SCHEMBL104239 0.84 CDK4 (0.45) GRM5POLBKDM4EALDH1A1MEN1
SCHEMBL104267 0.83 HDAC6 (0.46) GRM5ALDH1A1MEN1KMT2A
SCHEMBL103231 0.83 FFAR1 (0.43) GRM5MEN1KMT2AFFAR1POLQ
SCHEMBL4205275 0.82 KMT2A (0.44) CTNNB1WNT3AKDM4EMEN1KMT2A

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 11 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
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 GRM5 1/4885POLB 4331/4885LMNA 4407/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885POLB 4543/4885LMNA 4715/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885POLB 4331/4885LMNA 4407/4885

“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.