SCHEMBL173169

SCHEMBL173169

C=C(C)OC(=O)N1CCC(n2c(=O)n(Cc3ccc(OC)c(OC)c3)c(=O)c3cc(O)ccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.56
PDE7B Q9NP56 5/20 0.54
PDE8A O60658 3/20 0.54
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
ESR1 P03372 2/20 0.37
FEN1 P39748 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL100580 0.90 PDE7A (0.60) PDE7APDE7BPDE8AESR1FEN1
SCHEMBL14775916 0.88 PDE7A (0.60) PDE7APDE7BPDE8AESR1FEN1
SCHEMBL100025 0.88 PDE7A (0.56) PDE7APDE7BPDE8AUSP2HTT
SCHEMBL99845 0.87 PDE7A (0.62) PDE7APDE7BPDE8AHTTESR1
SCHEMBL99714 0.83 PDE7A (0.76) PDE7APDE7BPDE8AHTTESR1
SCHEMBL582486 0.83 PDE7A (0.57) PDE7APDE7BPDE8AHTTESR1
SCHEMBL582487 0.83 PDE7A (0.57) PDE7APDE7BPDE8AHTTESR1
SCHEMBL581735 0.82 PDE7A (0.56) PDE7APDE7BPDE8AHTTESR1
SCHEMBL30837932 0.82 PDE7A (0.56) PDE7APDE7BPDE8AHTTESR1
SCHEMBL173189 0.82 PDE7A (0.57) PDE7APDE7BPDE8AHTTESR1

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-20120184522-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-07-19 US disclosed
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 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 (2 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-20120184522-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES FABP3, SLC5A1, SLC5A2 PDE7A 1769/4885PDE7B 937/4885PDE8A 2886/4885
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SLC5A2, SLC5A1, PPARD PDE7A 1520/4885PDE7B 1364/4885PDE8A 2069/4885

“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.