SCHEMBL978950

SCHEMBL978950

Cc1nc(C#Cc2cccc(Cl)c2)c(C)n1-c1cnn(C)c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.43
KCNH2 Q12809 2/20 0.43
ADRB3 P13945 1/20 0.40
TSPO P30536 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GRM1 Q13255 1/20 0.37
MAOB P27338 1/20 0.36
ABL1 P00519 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 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
SCHEMBL980689 0.89 GRM5 (0.40) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL1048295 0.85 GRM5 (0.35) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL978833 0.84 GRM5 (0.64) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL983162 0.84 GRM5 (0.44) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL981736 0.79 GRM5 (0.42) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL979792 0.79 GRM5 (0.40) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL980666 0.79 GRM5 (0.45) GRM5KCNH2MAOB
SCHEMBL12948876 0.78 CYP1A2 (0.40) GRM1MAOB
SCHEMBL981471 0.77 GRM5 (0.44) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL1049871 0.77 GRM5 (0.40) GRM5KCNH2ADRB3TSPOTMEM97

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 10 patents. 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 claimed
US-8334287-B2 Imidazoles HOFFMANN-LA ROCHE INC. (US) 2012-12-18 US claimed
US-20110015202-A1 IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 US claimed
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
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
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
US-20110015202-A1 IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 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-20110015202-A1 IMIDAZOLES GRM5, GRM1, GRIK5 GRM5 1/4885KCNH2 435/4885ADRB3 491/4885

“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.