SCHEMBL103837

SCHEMBL103837

C#CCCc1nc2ccccc2n1CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
MAPT P10636 1/20 0.68
POLB P06746 3/20 0.65
RECQL P46063 1/20 0.63
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
PKM P14618 1/20 0.56
GAA P10253 1/20 0.53
TLR7 Q9NYK1 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL103179 0.89 MEN1 (0.64) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL105355 0.81 LMNA (0.65) LMNAMAPTPOLBRECQLMEN1
SCHEMBL3750821 0.81 POLB (0.80) LMNAMAPTPOLBRECQLMEN1
SCHEMBL3432866 0.81 LMNA (1.00) LMNAMAPTPOLBRECQLMEN1
SCHEMBL15314759 0.80 POLB (0.74) LMNAMAPTPOLBRECQLMEN1
Hydrochloric Acid SCHEMBL30281550 0.79 LMNA (0.71) LMNAMAPTPOLBRECQLMEN1
Hydrochloric Acid SCHEMBL29205435 0.79 LMNA (0.71) LMNAMAPTPOLBRECQLMEN1
SCHEMBL102779 0.79 MEN1 (0.77) LMNAMAPTPOLBRECQLMEN1
SCHEMBL103972 0.79 MAPT (0.57) LMNAMAPTPOLBRECQLPKM
SCHEMBL3397760 0.78 L3MBTL1 (0.78) LMNAMAPTPOLBRECQLMEN1

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 7 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

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 LMNA 4407/4885MAPT 1113/4885POLB 4331/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 LMNA 4715/4885MAPT 630/4885POLB 4543/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 LMNA 4407/4885MAPT 1113/4885POLB 4331/4885

“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.