SCHEMBL6502589

SCHEMBL6502589

COC(=O)c1c(C)nc(C#Cc2cccc(C)c2)n1C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
GRM5 P41594 13/20 0.41

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
SCHEMBL6200156 0.88 GRM5 (0.43) FFAR1GRM5
SCHEMBL6198861 0.78 GRM5 (0.44) FFAR1GRM5
SCHEMBL6200767 0.76 GRM5 (0.48) GRM5
SCHEMBL6200432 0.75 HPGD (0.44) GRM5
SCHEMBL6198642 0.75 GRM5 (0.50) GRM5
SCHEMBL6207660 0.74 GRM5 (0.43) FFAR1GRM5
SCHEMBL8185025 0.72 EGLN1 (0.40) FFAR1GRM5
SCHEMBL8264835 0.72 FFAR1 (0.57) FFAR1GRM5
SCHEMBL8175574 0.70 EGLN1 (0.38) FFAR1GRM5
SCHEMBL6201462 0.69 ADORA3 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972299-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMANN-LA ROCHE INC. (US) 2005-12-06 US disclosed
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-11-06 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-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 FFAR1 450/4885GRM5 1/4885

“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.