SCHEMBL5551663

SCHEMBL5551663

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
CYP3A4 P08684 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
HPD P32754 2/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
P2RX3 P56373 3/20 0.31
EEF2K O00418 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1946448 0.86 ALDH1A1 (0.45) ALDH1A1GAAKDM4EMAPTGFER
SCHEMBL2329963 0.79 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPTGFER
SCHEMBL1546099 0.77 ALDH1A1 (0.63) ALDH1A1GAAKDM4EMAPTGFER
SCHEMBL17582653 0.76 ALDH1A1 (0.66) ALDH1A1GAAKDM4EMAPTGFER
SCHEMBL25086824 0.75 P2RX3 (0.40) ALDH1A1KDM4EGSK3AGSK3BHPD
SCHEMBL20942675 0.73 POLB (0.46) ALDH1A1KDM4EMAPTGSK3AGSK3B
SCHEMBL239409 0.73 ALDH1A1 (0.45) ALDH1A1GAAKDM4EMAPTGFER
SCHEMBL19993561 0.72 GSK3B (0.47) ALDH1A1GAAKDM4EMAPTGFER
SCHEMBL1948066 0.70 ADORA2B (0.46) ALDH1A1GAAKDM4EMAPTGFER
SCHEMBL5552020 0.69 LMNA (0.47) GSK3AGSK3BHPDTNFLITAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 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-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 505/4885GAA 2205/4885KDM4E 4126/4885

“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.