SCHEMBL103972

SCHEMBL103972

C#CCCc1nc2ccccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ RAB9A P51151 6/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ PDE10A Q9Y233 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ USP2 O75604 1/20 0.48

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
SCHEMBL14050118 0.81 MAPT (0.76) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL102133 0.80 MAPT (0.54) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL102294 0.80 POLB (0.55) MAPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL3640134 0.80 LMNA (0.64) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL103837 0.79 LMNA (0.68) MAPTGAALMNAKDM4EPOLB
SCHEMBL104774 0.79 NPC1 (0.42) HDAC6RAB9ANPC1SMN1; SMN2GAA
SCHEMBL4728786 0.78 HDAC6 (0.67) MAPTHDAC6RAB9ANPC1SMN1; SMN2
Iodide SCHEMBL3451153 0.78 LMNA (0.62) MAPTHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL17933573 0.78 MAPT (0.62) MAPTHDAC6RAB9ANPC1SMN1; SMN2
Iodide SCHEMBL3451154 0.78 LMNA (0.62) MAPTHDAC6RAB9ANPC1SMN1; SMN2

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 MAPT 1113/4885HDAC6 1324/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MAPT 630/4885HDAC6 1182/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MAPT 1113/4885HDAC6 1324/4885RAB9A 1458/4885

“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.

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