SCHEMBL5042342

SCHEMBL5042342

Cc1cc(C#Cc2cn(CCOc3ccccc3)c(C)n2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.61
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 1/20 0.39
FFAR1 O14842 1/20 0.38
HAO1 Q9UJM8 1/20 0.38

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
SCHEMBL5038428 0.87 GRM5 (0.55) GRM5FFAR1HAO1
SCHEMBL2014187 0.85 GRM5 (0.62) GRM5FFAR1
SCHEMBL2008101 0.82 GRM5 (0.65) GRM5FFAR1
SCHEMBL2011460 0.78 GRM5 (0.59) GRM5FFAR1
SCHEMBL5042334 0.77 GRM5 (0.57) GRM5FFAR1HAO1
SCHEMBL5048046 0.77 GRM5 (0.60) GRM5FFAR1HAO1
SCHEMBL4630065 0.76 GRM5 (0.51) GRM5FFAR1
SCHEMBL5042306 0.76 GRM5 (0.60) GRM5FFAR1HAO1
SCHEMBL5038503 0.76 GRM5 (0.57) GRM5FFAR1
SCHEMBL5043844 0.76 GRM5 (0.65) GRM5FFAR1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644351-B1 Imidazole derivatives and their use in the treatment of mGluR5 receptor mediated disorders HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
US-7091222-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20050009878-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 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-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 GRM5 2/4885NPC1 634/4885RAB9A 444/4885

“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.