SCHEMBL25698133

SCHEMBL25698133

COc1cc(C(=O)NCC(c2cc(C(C)C)c(F)c(-c3ccc(I)cc3)n2)C2CC2)cc2cc(C(F)(F)F)cnc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.35
CETP P11597 5/20 0.33
FFAR1 O14842 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
SCN9A Q15858 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
P2RX7 Q99572 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL25698156 0.93 PDE4B (0.34) PDE4BCETPFFAR1ACSS2SCN9A
SCHEMBL23958797 0.84 CFTR (0.36) PDE4BACSS2ROCK2ROCK1P2RX7
SCHEMBL23958810 0.81 CFTR (0.34) PDE4BP2RX7HCRTR1HCRTR2
SCHEMBL25698171 0.80 PDE4B (0.31) PDE4BACSS2
SCHEMBL23958692 0.78 CTSA (0.36) ROCK2ROCK1
SCHEMBL23958652 0.74 LMNA (0.33) FFAR1ACSS2ROCK2ROCK1
SCHEMBL23958776 0.74 LMNA (0.36) PDE4BFFAR1ROCK2ROCK1P2RX7
SCHEMBL23195973 0.74 BACE1 (0.33) PDE4BP2RX7
SCHEMBL25697249 0.74 CETP (0.34) CETPROCK2ROCK1
SCHEMBL23958874 0.73 CTSA (0.35) PDE4BFFAR1ACSS2ROCK2ROCK1

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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE PDE4B 2848/4885CETP 4310/4885FFAR1 3908/4885

“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.