SCHEMBL15906103

SCHEMBL15906103

COc1ccc(CN2CCCC2=O)nc1-c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.46
PDE4B Q07343 7/20 0.44
PDE4D Q08499 2/20 0.40
CTSA P10619 2/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 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
SCHEMBL8070648 0.87 PDE4B (0.42) PDE4BPDE4DHCRTR1HCRTR2ADRA1D
SCHEMBL3791481 0.85 PDE4B (0.58) PDE4BPDE4D
SCHEMBL15906127 0.78 PDE4B (0.47) NLRP3PDE4BHCRTR1HCRTR2
SCHEMBL15906182 0.77 BDKRB1 (0.43) NLRP3ADRA1DADRA1AMTNR1AMTNR1B
SCHEMBL15906129 0.76 PDE4B (0.47) NLRP3PDE4BHCRTR1HCRTR2ADRA1D
SCHEMBL15906184 0.76 BDKRB1 (0.44) NLRP3ADRA1DADRA1AMTNR1AMTNR1B
SCHEMBL15906181 0.74 PDE4B (0.49) PDE4BPDE4DCTSA
SCHEMBL15906102 0.74 PDE4B (0.49) PDE4BPDE4DCTSA
SCHEMBL15906187 0.74 PDE4B (0.49) PDE4BPDE4DCTSA
SCHEMBL8066164 0.71 PDE4B (0.44) PDE4BPDE4D

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B NLRP3 728/4885PDE4B 2/4885PDE4D 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.