SCHEMBL14840445

SCHEMBL14840445

CN1C(=O)N(c2ccc(C#Cc3cccnc3)nc2)CC1(C)C

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.73

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
SCHEMBL14840160 0.90 GRM5 (0.71) GRM5
SCHEMBL2516262 0.84 GRM5 (1.00) GRM5
SCHEMBL14840189 0.84 GRM5 (0.74) GRM5
SCHEMBL14840494 0.83 GRM5 (0.72) GRM5
SCHEMBL14840384 0.82 GRM5 (0.53) GRM5
SCHEMBL2518629 0.81 GRM5 (1.00) GRM5
SCHEMBL14843336 0.80 GRM5 (0.52) GRM5
SCHEMBL14840768 0.75 GRM5 (0.70) GRM5
SCHEMBL2516867 0.74 GRM5 (1.00) GRM5
SCHEMBL17689276 0.72 GRM5 (0.78) GRM5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763977-B1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2016-02-24 EP claimed
US-8969338-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2015-03-03 US claimed
US-20130090332-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US claimed
EP-2763977-B1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2016-02-24 EP disclosed
EP-2763977-B1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2016-02-24 EP disclosed
US-8969338-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2015-03-03 US disclosed
US-8969338-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2015-03-03 US disclosed
US-8969338-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2015-03-03 US disclosed
EP-2763977-A1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-20130090332-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090332-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050454-A1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
WO-2013050454-A1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090332-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-11 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-20130090332-A1 ETHYNYL DERIVATIVES GRM5, GRIK5, GRM1 GRM5 1/4885

“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.