SCHEMBL13388628

SCHEMBL13388628

O=C(O)c1ccc(C#Cc2cccc(F)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.65
▸ CHRM5 P08912 1/20 0.61

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
SCHEMBL14838804 0.83 CYP1A2 (0.67) CHRM5
SCHEMBL15649650 0.83 GRM5 (0.63) GRM5CHRM5
SCHEMBL13730442 0.83 P4HTM (0.53) GRM5
SCHEMBL13388104 0.82 GRM5 (0.65) GRM5
SCHEMBL13730987 0.82 FFAR1 (0.55) GRM5
SCHEMBL15650105 0.82 GRM5 (0.64) GRM5CHRM5
SCHEMBL13730336 0.82 KMO (0.47) GRM5CHRM5
SCHEMBL14838772 0.80 CHRM5 (0.65) CHRM5
SCHEMBL14838727 0.80 GRM5 (0.66) GRM5CHRM5
SCHEMBL14838741 0.80 GRM5 (0.67) GRM5CHRM5

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909178-B1 ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2016-10-05 — — EP disclosed
EP-2909178-B1 ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2016-10-05 — — EP disclosed
EP-2909180-B1 ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2016-10-05 — — EP disclosed
EP-2909180-B1 ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2016-10-05 — — EP disclosed
CN-104718192-B ethynyl derivatives as modulators of MGLUR5 receptor activity 霍夫曼-拉罗奇有限公司 2016-08-31 — — CN disclosed
CN-104603110-B Ethynyl derivatives serving as the regulator of mGluR5 receptor active 霍夫曼-拉罗奇有限公司 2016-08-31 — — CN disclosed
US-9359301-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2016-06-07 — — US disclosed
US-9359301-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2016-06-07 — — US disclosed
US-9359301-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2016-06-07 — — US disclosed
US-9227959-B2 Ethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-01-05 — — US disclosed
US-8772300-B2 Phenyl or pyridinyl-ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-07-08 — — US disclosed
US-8772300-B2 Phenyl or pyridinyl-ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-07-08 — — US disclosed
WO-2014060384-A1 ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 — — WO disclosed
WO-2014060384-A1 ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 — — WO disclosed
WO-2014060398-A1 ETHYNYL DERIVATIVES AS MODULATORS OF MGLUR5 RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 — — WO disclosed
EP-2699547-A1 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS F. Hoffmann-La Roche AG (CH) 2014-02-26 — — EP disclosed
WO-2013049255-A1 SUBSTITUED 5-(PROP-1-YN-1-YL)PICOLINAMIDE ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-04-04 — — WO disclosed
WO-2012143340-A1 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-26 — — WO disclosed
US-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-10-25 — — US disclosed
US-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-10-25 — — 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 (1 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-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES GRM5, GRM1, GRM3 GRM5 1/4885CHRM5 20/4885

“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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