SCHEMBL103561

SCHEMBL103561

C[Si](C)(C)C#CCCn1ncc2cccc(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.44
CYP1A2 P05177 1/20 0.38
PRMT5 O14744 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
PSMB8 P28062 1/20 0.34
RECQL P46063 1/20 0.31
NPBWR1 P48145 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL102303 0.77 CYP1A2 (0.63) ADRA2ACYP1A2RECQL
SCHEMBL21733174 0.75 ADRA2A (0.54) ADRA2APRMT5HTR2AHTR2CPSMB8
SCHEMBL28329487 0.74 ADRA2A (0.48) ADRA2APRMT5HTR2AHTR2CPSMB8
SCHEMBL101881 0.70 PARP1 (0.33) PSMB8
SCHEMBL103864 0.69 PSMB8 (0.48) PRMT5PSMB8
SCHEMBL19152608 0.69 PRMT5 (0.49) ADRA2ACYP1A2PRMT5HTR2AHTR2C
SCHEMBL102196 0.65 PSMB8 (0.31) PRMT5PSMB8
SCHEMBL28675907 0.63 CYP1A2 (0.58) ADRA2ACYP1A2RECQL
SCHEMBL29041415 0.62 ADRA2A (0.44) ADRA2ACYP1A2PRMT5HTR2AHTR2C
SCHEMBL20665049 0.62 ADRA2A (0.41) ADRA2APRMT5HTR2AHTR2CPSMB8

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 ADRA2A 799/4885CYP1A2 3599/4885PRMT5 532/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ADRA2A 579/4885CYP1A2 3019/4885PRMT5 510/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 ADRA2A 799/4885CYP1A2 3599/4885PRMT5 532/4885

“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.