SCHEMBL103146

SCHEMBL103146

C#CCCn1cc(-c2ccccc2Cl)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP19A1 P11511 2/20 0.39
TLR8 Q9NR97 1/20 0.39
HDAC8 Q9BY41 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
EPHB4 P54760 4/20 0.37
TEK Q02763 4/20 0.37
KDR P35968 3/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 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
SCHEMBL103157 0.79 GRM5 (0.37) NAMPTHDAC8HDAC6HDAC3HDAC4
SCHEMBL29275462 0.77 CYP19A1 (0.66) CYP19A1HDAC8HDAC6HDAC3HDAC4
SCHEMBL9895015 0.73 HSD11B1 (0.52) HSD11B1TLR8NPC1ALDH1A1LMNA
SCHEMBL102272 0.72 PTGS2 (0.51) CYP19A1HDAC8HDAC6HDAC3HDAC1
SCHEMBL103198 0.71 IDO1 (0.38) HSD11B1TLR8NPC1ALDH1A1LMNA
SCHEMBL28998691 0.69 MEN1 (0.60) CYP19A1HDAC8HDAC6HDAC3HDAC4
SCHEMBL19449439 0.66 HSD11B1 (0.43) HSD11B1CYP19A1TLR8NPC1ALDH1A1
SCHEMBL20812234 0.66 HSD11B1 (0.43) HSD11B1TLR8NPC1ALDH1A1LMNA
SCHEMBL17413964 0.65 TGM2 (0.35) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL28647456 0.64 NOTUM (0.55) TLR8KDR

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 NAMPT 4414/4885HSD11B1 2847/4885CYP19A1 4014/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NAMPT 4190/4885HSD11B1 2681/4885CYP19A1 3417/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 NAMPT 4414/4885HSD11B1 2847/4885CYP19A1 4014/4885

“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.