SCHEMBL4458582

SCHEMBL4458582

O=C1NNC(=O)C2(CCCCC2)N1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 18/20 0.43
PDE7B Q9NP56 1/20 0.39

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
Hydrochloric Acid SCHEMBL5582488 0.98 PDE7A (0.42) PDE7APDE7B
SCHEMBL351324 0.81 PDE7A (0.50) PDE7APDE7B
SCHEMBL551553 0.81 PDE7A (0.50) PDE7APDE7B
SCHEMBL22422289 0.81 PDE7A (0.50) PDE7APDE7B
SCHEMBL11491220 0.81 PDE7A (0.50) PDE7APDE7B
SCHEMBL11870539 0.81 PDE7A (0.50) PDE7APDE7B
SCHEMBL542497 0.78 PDE7A (0.47) PDE7APDE7B
SCHEMBL630549 0.73 CRBN (0.43) PDE7APDE7B
SCHEMBL2505773 0.70 PDE7A (0.32) PDE7A
SCHEMBL23039345 0.70 PDE7A (0.41) PDE7APDE7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
US-20050176703-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2005-08-11 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-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 PDE7A 998/4885PDE7B 1128/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 PDE7A 998/4885PDE7B 1128/4885

“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.