SCHEMBL6510029

SCHEMBL6510029

COCCn1c(C)c(N)c(=O)n(CCOC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ADORA2B P29275 11/20 0.44
PDE4A P27815 2/20 0.44
ADORA2A P29274 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
GNRHR P30968 1/20 0.41
RGS4 P49798 1/20 0.40
RGS8 P57771 1/20 0.40
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
USP2 O75604 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 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
SCHEMBL14267075 0.79 ADORA2B (0.45) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL837393 0.76 ALDH1A1 (0.58) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL4771669 0.73 ALDH1A1 (0.41) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL1947210 0.70 ALDH1A1 (0.44) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL4763504 0.69 ADORA2B (0.46) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL8180148 0.68 ALDH1A1 (0.40) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL4772714 0.67 ADORA2B (0.39) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL30178384 0.67 CNR2 (0.41) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL14536578 0.67 ALDH1A1 (0.48) ALDH1A1ADORA2BPDE4AADORA2APDE4B
SCHEMBL12957275 0.67 ALDH1A1 (0.48) ALDH1A1ADORA2BPDE4AADORA2APDE4B

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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 US disclosed
EP-1409489-A1 6-PHENYLDIHYDROPYRROLOPYRIMIDINEDIONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2004-04-21 EP disclosed
WO-2003000694-A1 6-PHENYLDIHYDROPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-03 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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ADORA1, ADORA2A, P2RY10 ALDH1A1 230/4885ADORA2B 4/4885PDE4A 915/4885

“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.