SCHEMBL13578407

SCHEMBL13578407

COc1ccc(CN2CCOC2=O)cc1-c1cccc([NH+]([O-])O)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.48
▸ CHRM3 P20309 2/20 0.39
▸ TNIK Q9UKE5 3/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ ROCK2 O75116 4/20 0.37
▸ GRM2 Q14416 3/20 0.37
▸ ROCK1 Q13464 3/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HTR7 P34969 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL10440258 0.83 PDE4B (0.42) PDE4BKMT2APDE4D
SCHEMBL8067073 0.82 PDE4B (0.50) PDE4BCHRM3TNIKROCK2GRM2
SCHEMBL3792872 0.82 PDE4B (0.49) PDE4BTNIKKMT2APDE4D
SCHEMBL13578412 0.77 PDE4B (0.41) PDE4BHTR7PDE4D
SCHEMBL13578406 0.76 CD274 (0.51) —
SCHEMBL13578405 0.76 CD274 (0.51) —
SCHEMBL13578404 0.76 HTR7 (0.47) PDE4BHTR7
SCHEMBL10440089 0.76 PDE4D (0.40) PDE4BHTR7PDE4D
SCHEMBL4973888 0.75 TNIK (0.47) PDE4BTNIKROCK2ROCK1KMT2A
SCHEMBL13578408 0.74 PDE4D (0.47) PDE4BHTR7PDE4D

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-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — 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-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4B 2/4885CHRM3 2142/4885TNIK 2555/4885

“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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