SCHEMBL980685

SCHEMBL980685

Cc1nc(C#Cc2cccc(Cl)c2)c[nH]1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.61
KCNH2 Q12809 1/20 0.46

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
SCHEMBL980961 0.84 GRM5 (0.55) GRM5
SCHEMBL1024735 0.82 GRM5 (0.57) GRM5
SCHEMBL6028339 0.80 GRM5 (0.44) GRM5KCNH2
SCHEMBL981316 0.79 GRM5 (0.44) GRM5KCNH2
SCHEMBL1024657 0.78 GRM5 (0.60) GRM5
SCHEMBL4710415 0.76 GRM5 (1.00) GRM5
SCHEMBL4562631 0.74 KCNH2 (0.67) GRM5KCNH2
SCHEMBL30707869 0.74 KCNH2 (0.67) GRM5KCNH2
SCHEMBL2010490 0.74 GRM5 (0.49) GRM5
SCHEMBL4153004 0.73 GRM5 (1.00) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456765-B1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-05-01 EP disclosed
US-8334287-B2 Imidazoles HOFFMANN-LA ROCHE INC. (US) 2012-12-18 US disclosed
EP-2456765-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
US-7964620-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964620-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
WO-2011006910-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 WO disclosed
US-20110015202-A1 IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 US disclosed
EP-1670784-B1 HETEROARYL-SUBSTITUTED IMDAZOLE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
EP-1831193-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-20090018171-A1 IMIDAZOLE DERIVATIVES BUETTELMANN BERND 2009-01-15 US disclosed
US-7452909-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-7452909-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-18 US disclosed
EP-1831193-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
US-7241760-B2 Central nervous system disorders; psycholgical disorders; antiepi;eptic agents; schizophrenia; Alzheimer's disease; cognition activators; analgesics HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241760-B2 Central nervous system disorders; psycholgical disorders; antiepi;eptic agents; schizophrenia; Alzheimer's disease; cognition activators; analgesics HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
EP-1670784-A1 HETEROARYL-SUBSTITUTED IMDAZOLE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005023795-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054686-A1 Imidazole derivatives HOFFMANN-LA ROCHE INC. 2005-03-10 US disclosed
WO-2004111040-A1 HETEROARYL-SUBSTITUTED IMDAZOLE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040254179-A1 Heteroaryl-substituted imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 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 (4 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-20040254179-A1 Heteroaryl-substituted imidazole derivatives GRIN2A, GRIN2B, GRIK5 GRM5 4/4885KCNH2 167/4885
US-20050054686-A1 Imidazole derivatives CHRM2, CHRM1, ARG1 GRM5 758/4885KCNH2 418/4885
US-20110015202-A1 IMIDAZOLES GRM5, GRM1, GRIK5 GRM5 1/4885KCNH2 435/4885
US-20090018171-A1 IMIDAZOLE DERIVATIVES CHRM2, CHRM1, ARG1 GRM5 758/4885KCNH2 418/4885

“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.