SCHEMBL11962052

SCHEMBL11962052

CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCCN4[11CH3])cc3)nc21

nearest known ligand 0.95

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.95
PDE1A P54750 4/20 0.95
PDE1C Q14123 4/20 0.95
PDE4A P27815 8/20 0.51
PDE2A O00408 5/20 0.47
PDE4D Q08499 1/20 0.47
PDE8A O60658 2/20 0.38
PDE5A O76074 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE11A Q9HCR9 2/20 0.38
PDE7B Q9NP56 2/20 0.38
PDE10A Q9Y233 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE9A O76083 1/20 0.36

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
SCHEMBL1654131 1.00 PDE1B (0.95) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL1654115 0.98 PDE1B (1.00) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL11962054 0.98 PDE1B (1.00) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL8045666 0.92 PDE1B (0.80) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL11903636 0.91 PDE1B (0.79) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL3662577 0.91 PDE1B (0.79) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL16130289 0.89 PDE1B (0.79) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL3094574 0.88 PDE1B (0.76) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL1652846 0.87 PDE1B (0.73) PDE1BPDE1APDE1CPDE4APDE2A
SCHEMBL713987 0.85 PDE1B (0.73) PDE1BPDE1APDE1CPDE4APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120201754-A1 PHOSPHODIESTERASE 1-TARGETING TRACERS AND METHODS INTRA-CELLULAR THERAPIES, INC. 2012-08-09 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-20120201754-A1 PHOSPHODIESTERASE 1-TARGETING TRACERS AND METHODS PDE5A, PDE2A, PDE3A PDE1B 15/4885PDE1A 9/4885PDE1C 14/4885

“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.