SCHEMBL2010490

SCHEMBL2010490

Cc1cc(C#Cc2c[nH]c(C)n2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.49
FFAR1 O14842 1/20 0.42
HAO1 Q9UJM8 2/20 0.40
UHRF1 Q96T88 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL981316 0.86 GRM5 (0.44) GRM5FFAR1
SCHEMBL2175371 0.84 GRM5 (0.41) GRM5
SCHEMBL4630167 0.82 GRM5 (0.45) GRM5FFAR1HAO1UHRF1GABRP
SCHEMBL6708051 0.77 GRM5 (0.44) GRM5FFAR1HAO1
SCHEMBL980961 0.76 GRM5 (0.55) GRM5
SCHEMBL1024735 0.74 GRM5 (0.57) GRM5
SCHEMBL980685 0.74 GRM5 (0.61) GRM5
SCHEMBL4021134 0.72 GRM5 (0.57) GRM5
SCHEMBL5043844 0.71 GRM5 (0.65) GRM5FFAR1HAO1UHRF1GABRP
SCHEMBL23370336 0.71 FFAR1 (0.56) GRM5FFAR1HAO1UHRF1GABRP

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
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
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-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-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
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-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US 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
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 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-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
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO 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-20050054686-A1 Imidazole derivatives CHRM2, CHRM1, ARG1 GRM5 758/4885FFAR1 3485/4885HAO1 3965/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 GRM5 10/4885FFAR1 817/4885HAO1 3100/4885
US-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 GRM5 2/4885FFAR1 600/4885HAO1 4609/4885
US-20090018171-A1 IMIDAZOLE DERIVATIVES CHRM2, CHRM1, ARG1 GRM5 758/4885FFAR1 3485/4885HAO1 3965/4885

“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.