SCHEMBL4960052

SCHEMBL4960052

CCOC(=O)c1nc(C(C)C)oc1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
FBP1 P09467 4/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
TARBP2 Q15633 4/20 0.40
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL4985307 0.83 TARBP2 (0.41) ALDH1A1CYP1A2FBP1ADORA3ADORA2A
SCHEMBL361590 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2FBP1ADORA3ADORA2A
SCHEMBL4961136 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2FBP1ADORA3ADORA2A
Hydrochloric Acid SCHEMBL11140661 0.76 ALDH1A1 (0.46) ALDH1A1CYP1A2FBP1ADORA3ADORA2A
SCHEMBL17646773 0.75 ALDH1A1 (0.46) ALDH1A1CYP1A2FBP1ADORA3ADORA2A
SCHEMBL20378343 0.74 KDM4E (0.42) ALDH1A1CYP1A2FBP1KDM4EHPGD
SCHEMBL4958502 0.74 ALDH1A1 (0.44) ALDH1A1CYP1A2FBP1ADORA3ADORA2A
SCHEMBL28561959 0.73 KDM4E (0.41) ALDH1A1CYP1A2KDM4EHPGDGAA
SCHEMBL4963472 0.72 CSNK1D (0.43) ALDH1A1CYP1A2KDM4EHPGDTARBP2
SCHEMBL2843820 0.72 ALDH1A1 (0.59) ALDH1A1CYP1A2ADORA3ADORA2AADORA1

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
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
EP-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312291-A1 Heterocyclic Gaba-b Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 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-20080312291-A1 Heterocyclic Gaba-b Modulators GABBR1, GABBR2, GABRB1 ALDH1A1 1429/4885CYP1A2 599/4885FBP1 435/4885

“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.