SCHEMBL6741317

SCHEMBL6741317

CCN(CCO)CCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.71
LMNA P02545 3/20 0.71
MAPT P10636 1/20 0.59
PDE4A P27815 3/20 0.56
PDE4B Q07343 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
ADORA1 P30542 1/20 0.56
RXFP1 Q9HBX9 2/20 0.55
MAPK1 P28482 1/20 0.55

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
Etamiphyllin SCHEMBL355304 0.91 ADORA2B (0.67) ADORA2BLMNAMAPTPDE4APDE4B
Etamiphyllin SCHEMBL1651150 0.88 ADORA2B (0.63) ADORA2BLMNAMAPTPDE4APDE4B
Etofylline SCHEMBL149271 0.83 ADORA2B (1.00) ADORA2BLMNAMAPTPDE4APDE4B
SCHEMBL683551 0.83 ADORA2B (0.70) ADORA2BLMNAMAPTPDE4APDE4B
Bamifylline SCHEMBL28086377 0.82 TSHR (0.53) ADORA2BLMNAMAPTSMN1; SMN2ADORA1
SCHEMBL683897 0.82 ADORA2B (0.71) ADORA2BLMNAMAPTPDE4APDE4B
SCHEMBL11381846 0.81 ADORA2B (0.64) ADORA2BLMNAMAPTSMN1; SMN2POLB
Dimethazan SCHEMBL49056 0.81 PDE4A (0.73) ADORA2BLMNAMAPTPDE4APDE4B
SCHEMBL9293406 0.81 ADORA2B (0.83) ADORA2BLMNAMAPTPDE4APDE4B
SCHEMBL16120984 0.80 ADORA2B (0.81) ADORA2BLMNAMAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 US claimed
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 US disclosed
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 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-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium RYR1, ATP2A2, ATP2A1 ADORA2B 826/4885LMNA 824/4885MAPT 3763/4885

“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.