SCHEMBL15906129

SCHEMBL15906129

COc1ccc(CN2CCCCC2=O)cc1-c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
ACHE P22303 3/20 0.43
KMT2A Q03164 3/20 0.43
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL15906127 0.98 PDE4B (0.47) PDE4BL3MBTL1HRH3ACHEKMT2A
SCHEMBL3790844 0.87 PDE4B (0.47) PDE4BL3MBTL1KMT2AHCRTR1HCRTR2
SCHEMBL15906095 0.86 KMT2A (0.46) PDE4BKMT2AHCRTR1HCRTR2
SCHEMBL3786400 0.86 L3MBTL1 (0.53) PDE4BL3MBTL1ACHEKMT2AADRA1D
SCHEMBL8064986 0.86 PDE4B (0.44) PDE4BL3MBTL1HRH3ACHEKMT2A
SCHEMBL3792406 0.86 PDE4B (0.62) PDE4BL3MBTL1HRH3KMT2AHCRTR1
SCHEMBL3790892 0.84 MAPK1 (0.44) PDE4BL3MBTL1ACHEKMT2A
SCHEMBL3789371 0.84 PDE4B (0.44) PDE4BL3MBTL1HRH3ACHEKMT2A
SCHEMBL8060160 0.84 PDE4B (0.44) PDE4BL3MBTL1HRH3ACHEKMT2A
SCHEMBL7918270 0.84 PDE4B (0.44) PDE4BL3MBTL1KMT2AHCRTR1HCRTR2

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 PDE4B 2/4885L3MBTL1 3346/4885HRH3 3683/4885

“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.