SCHEMBL980927

SCHEMBL980927

Cc1nc(C#Cc2cccc(Cl)c2)cn1-c1ccn(CCO)c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.43
MAOB P27338 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
KCNH2 Q12809 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34

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
SCHEMBL978619 0.90 GRM5 (0.45) GRM5HSD17B13
SCHEMBL983161 0.89 GRM5 (0.45) GRM5MAOBPTGESALOX5KCNH2
SCHEMBL979217 0.89 GRM5 (0.42) GRM5MAOB
SCHEMBL980038 0.86 GRM5 (0.47) GRM5MAOBKCNH2
SCHEMBL979792 0.81 GRM5 (0.40) GRM5MAOBPTGESALOX5KCNH2
SCHEMBL12948821 0.80 TLR8 (0.40) MAOB
SCHEMBL980666 0.79 GRM5 (0.45) GRM5MAOBKCNH2
SCHEMBL981481 0.79 GRM5 (0.47) GRM5
SCHEMBL981194 0.79 GRM5 (0.43) GRM5
SCHEMBL978967 0.78 GRM5 (0.45) 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 8 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 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
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 1/4885MAOB 2401/4885PTGES 1127/4885

“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.