SCHEMBL6200432

SCHEMBL6200432

CCOC(=O)c1c(C)nc(C#Cc2cccc(-n3c(C)ccc3C)c2)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
GRM5 P41594 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
ALOX15 P16050 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MYC P01106 1/20 0.40
HSPA1A P0DMV8 1/20 0.40
NR4A1 P22736 1/20 0.40
PTPN7 P35236 1/20 0.40

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 0.87 GRM5 (0.43) ALDH1A1MAPTGAAGRM5SMN1; SMN2
SCHEMBL6207861 0.85 ALDH1A1 (0.35) HPGDHTTALDH1A1MAPTGAA
SCHEMBL6198642 0.84 GRM5 (0.50) HPGDALDH1A1MAPTGAAGRM5
SCHEMBL6198861 0.84 GRM5 (0.44) HPGDALDH1A1MAPTGRM5LMNA
SCHEMBL6200767 0.81 GRM5 (0.48) HPGDALDH1A1MAPTGRM5SMN1; SMN2
SCHEMBL6201462 0.78 ADORA3 (0.47) HPGDALDH1A1MAPTGAAGRM5
SCHEMBL6199786 0.78 GRM5 (0.52) HPGDALDH1A1MAPTGRM5SMN1; SMN2
SCHEMBL6202119 0.78 GABRA2 (0.44) HPGDHTTALDH1A1MAPTGRM5
SCHEMBL6203026 0.78 LMNA (0.48) HPGDALDH1A1MAPTGAAGRM5
SCHEMBL6199750 0.77 MAPK1 (0.43) HPGDHTTALDH1A1MAPTGAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP claimed
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP claimed
EP-1349839-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP claimed
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles F.HOFFMANN-LA ROCHE AG (CH) 2002-09-12 US claimed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO claimed
US-6972299-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMANN-LA ROCHE INC. (US) 2005-12-06 US disclosed
US-6927232-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMAN-LA ROCHE INC. (US) 2005-08-09 US disclosed
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP disclosed
US-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2005-06-16 US disclosed
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP disclosed
US-6706707-B2 TREATMENT OR PREVENTION OF MGLUR5 RECEPTOR MEDIATED DISORDERS. HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-12-04 US disclosed
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-11-06 US disclosed
EP-1349839-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles F.HOFFMANN-LA ROCHE AG (CH) 2002-09-12 US disclosed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 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-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM6 HPGD 2764/4885HTT 1194/4885ALDH1A1 3153/4885
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 HPGD 2990/4885HTT 1463/4885ALDH1A1 2819/4885
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 HPGD 2990/4885HTT 1463/4885ALDH1A1 2819/4885
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, HRH4 HPGD 2715/4885HTT 1404/4885ALDH1A1 2558/4885

“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.