SCHEMBL3983345

SCHEMBL3983345

C=CCn1c(=O)cc(N)n(CCCC)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
FPR1 P21462 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE4A P27815 3/20 0.42
ADORA2A P29274 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
ADORA2B P29275 2/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
PSMD14 O00487 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2336285 0.86 ALDH1A1 (0.45) MAPTCYP3A4PDE4AADORA2APDE4B
SCHEMBL28968573 0.84 CYP3A4 (0.48) GAAMAPTFPR1CYP3A4PDE4A
SCHEMBL476495 0.84 CYP3A4 (0.56) GAAMAPTFPR1CYP3A4PDE4A
Aminometradine SCHEMBL309849 0.81 CYP3A4 (0.48) GAAMAPTFPR1CYP3A4PDE4A
SCHEMBL29738657 0.81 ADRA2A (0.45) CYP3A4ADORA2BALDH1A1
SCHEMBL7178960 0.80 ADORA2B (0.47) CYP3A4ADORA2BHSD17B10ALDH1A1
SCHEMBL29946826 0.80 ADORA2B (0.47) CYP3A4ADORA2BHSD17B10ALDH1A1
SCHEMBL1948066 0.80 ADORA2B (0.46) GAAMAPTCYP3A4PDE4AADORA2A
SCHEMBL7181790 0.80 ADORA2B (0.47) CYP3A4ADORA2BHSD17B10ALDH1A1
SCHEMBL7178946 0.80 ADORA2B (0.47) CYP3A4ADORA2BHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL GAA 423/4885MAPT 3897/4885FPR1 1757/4885

“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.