SCHEMBL6201322

SCHEMBL6201322

CCOC(=O)c1c(C)nc(C#Cc2ccccc2C)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
HCRTR1 O43613 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL6199507 0.88 GRM5 (0.53) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6198642 0.85 GRM5 (0.50) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6201462 0.81 ADORA3 (0.47) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6199750 0.80 MAPK1 (0.43) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6200156 0.79 GRM5 (0.43) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6203026 0.78 LMNA (0.48) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6202119 0.78 GABRA2 (0.44) SMN1; SMN2MAPK1MAPTRAB9AKMT2A
SCHEMBL6199786 0.78 GRM5 (0.52) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1
SCHEMBL6198861 0.76 GRM5 (0.44) MAPK1MAPTRAB9AALOX15KMT2A
SCHEMBL6200432 0.75 HPGD (0.44) SMN1; SMN2MAPK1MAPTRAB9AHCRTR1

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 7 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-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP claimed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO claimed
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP 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
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 (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 SMN1; SMN2 2523/4885MAPK1 1159/4885MAPT 2207/4885

“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.