SCHEMBL15869815

SCHEMBL15869815

CCSc1c2c(nn1Cc1ccc(-c3cccc(C)n3)cc1)N1C(=N[C@@H]3CCC[C@@H]31)N(C)C2=O

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 2/20 0.84
▸ PDE1B Q01064 1/20 0.84
▸ PDE4A P27815 18/20 0.69

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
SCHEMBL12198194 0.94 PDE1A (0.74) PDE1APDE1BPDE4A
SCHEMBL15869800 0.91 PDE1A (0.84) PDE1APDE1BPDE4A
SCHEMBL14243419 0.91 PDE1A (1.00) PDE1APDE1BPDE4A
SCHEMBL12198193 0.90 PDE4A (0.85) PDE1APDE1BPDE4A
SCHEMBL12198227 0.87 PDE4A (0.69) PDE1APDE1BPDE4A
SCHEMBL18928137 0.86 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL2472569 0.86 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL14827542 0.84 PDE4A (0.67) PDE1APDE1BPDE4A
SCHEMBL14827541 0.84 PDE4A (0.66) PDE1APDE1BPDE4A
SCHEMBL18380631 0.84 PDE4A (0.85) PDE1BPDE4A

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-20140194396-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-07-10 — — 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-20140194396-A1 ORGANIC COMPOUNDS PDE3A, PDE3B, PDE5A PDE1A 40/4885PDE1B 35/4885PDE4A 7/4885

“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.

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