SCHEMBL21090653

SCHEMBL21090653

CC(C)(C)C1CCCCCCCC/N=C\1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32

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
SCHEMBL19400068 1.00 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL21993817 1.00 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL18950345 1.00 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL17145232 0.72 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL19400071 0.72 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL20650132 0.72 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL21036387 0.72 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL19537510 0.72 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL7626912 0.71 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL16053179 0.66 CA1 (0.30)

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-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2019-06-13 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-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS PDE3A, PDE5A, PDE4A NOS3 883/4885NOS1 249/4885NOS2 1149/4885

“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.