SCHEMBL5038503

SCHEMBL5038503

Cc1cc(C#Cc2cn(CC(F)(F)F)c(C)n2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.57
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
FFAR1 O14842 1/20 0.38
KCNH2 Q12809 2/20 0.35
ADRB3 P13945 1/20 0.35
TSPO P30536 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR35 Q9HC97 1/20 0.35
GRM4 Q14833 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL5043887 0.89 GRM5 (0.46) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5042306 0.82 GRM5 (0.60) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5042334 0.81 GRM5 (0.57) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5048046 0.81 GRM5 (0.60) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2013401 0.80 GRM5 (0.66) GRM5FFAR1KCNH2
SCHEMBL5042349 0.79 GRM5 (0.55) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5038428 0.79 GRM5 (0.55) GRM5FFAR1KCNH2GABRPGABRD
SCHEMBL2008101 0.79 GRM5 (0.65) GRM5FFAR1GABRPGABRDGABRA1
SCHEMBL2015726 0.79 GRM5 (0.55) GRM5FFAR1KCNH2GABRPGABRD
SCHEMBL2013751 0.78 GRM5 (0.55) GRM5FFAR1

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 8 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 claimed
EP-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP claimed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO claimed
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 2/4885PSEN1 248/4885PSEN2 230/4885

“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.